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98-78-2,MFCD01320173
Catalog No.:AA0033P6

98-78-2 | 3-Oxocyclopentanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$17.00   $12.00
- +
5g
97%
in stock  
$22.00   $16.00
- +
10g
97%
in stock  
$42.00   $30.00
- +
25g
97%
in stock  
$92.00   $64.00
- +
100g
97%
in stock  
$350.00   $245.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033P6
Chemical Name:
3-Oxocyclopentanecarboxylic acid
CAS Number:
98-78-2
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD01320173
SMILES:
O=C1CCC(C1)C(=O)O
NSC Number:
19869
Properties
Properties
 
BP:
300.6°C at 760 mmHg  
Form:
Solid  
MP:
61.85 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
150  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.4  

Upstream Synthesis Route

[1]Patent:WO2017/27582,2017,A1,.Locationinpatent:Page/Pagecolumn77

[2]Patent:CN107474024,2017,A,.Locationinpatent:Paragraph0408;0409;0410;0411

[3]Patent:WO2003/93231,2003,A2,.Locationinpatent:Page/Pagecolumn50

[4]Patent:WO2013/170030,2013,A1,.Locationinpatent:Page/Pagecolumn165-166

[5]Patent:WO2013/28474,2013,A1,.Locationinpatent:Page/Pagecolumn96

[6]Patent:EP2744499,2016,B1,.Locationinpatent:Paragraph0217

[1]JournaloftheAmericanChemicalSociety,2015,vol.137,#49,p.15518-15527

[2]Patent:WO2010/107765,2010,A1,.Locationinpatent:Page/Pagecolumn59

[3]Patent:US2014/275179,2014,A1,.Locationinpatent:Paragraph0809;0810

[4]Patent:US9067898,2015,B1,.Locationinpatent:Page/Pagecolumn75

[5]Patent:WO2015/134039,2015,A1,.Locationinpatent:Page/Pagecolumn89

[1]Patent:US4272437,1981,A,

[1]Patent:US5675005,1997,A,

[1]Patent:US4640931,1987,A,

Downstream Synthesis Route
50-00-0    98-78-2    6091-44-7   
3-oxo-4-piperidinomethyl-cyclopentanecarboxylicacid 

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2068,2072;engl.Ausg.S.2107,2110

[1]JournalofFluorineChemistry,2017,vol.199,p.60-66

[2]JournaloftheChemicalSociety,1908,vol.93,p.575

[1]JournaloftheChemicalSociety,1921,vol.119,p.499

[1]Nucleosides,nucleotidesandnucleicacids,2011,vol.30,p.897-907

[2]Patent:US2017/362235,2017,A1.Locationinpatent:Paragraph0213;0214

[3]BulletinoftheChemicalSocietyofJapan,1959,vol.32,p.223,224

[4]Chemicalandpharmaceuticalbulletin,1963,vol.11,p.829-834

[1]BulletinoftheChemicalSocietyofJapan,1959,vol.32,p.223,224

Literature

Title: 3-Oxocyclo-butane-carboxylic acid: hydrogen bonding in a small-ring γ-keto acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090301

Title: Modifications of the pyroglutamic acid and histidine residues in thyrotropin-releasing hormone (TRH) yield analogs with selectivity for TRH receptor type 2 over type 1.

Journal: Bioorganic & medicinal chemistry 20070101

Title: (+/-)-3-Oxocyclopentanecarboxylic acid: The smallest keto acid known to aggregate by catemeric hydrogen bonding.

Journal: Acta crystallographica. Section C, Crystal structure communications 20061201

Quotation Request
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Additional Info:
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SDS
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Tags:98-78-2 Molecular Formula|98-78-2 MDL|98-78-2 SMILES|98-78-2 3-Oxocyclopentanecarboxylic acid
Catalog No.: AA0033P6
98-78-2,MFCD01320173
98-78-2 | 3-Oxocyclopentanecarboxylic acid
Pack Size： 1g
Purity： 97%
in stock
$17.00 $12.00
Pack Size： 5g
Purity： 97%
in stock
$22.00 $16.00
Pack Size： 10g
Purity： 97%
in stock
$42.00 $30.00
Pack Size： 25g
Purity： 97%
in stock
$92.00 $64.00
Pack Size： 100g
Purity： 97%
in stock
$350.00 $245.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0033P6
Chemical Name: 3-Oxocyclopentanecarboxylic acid
CAS Number: 98-78-2
Molecular Formula: C6H8O3
Molecular Weight: 128.1259
MDL Number: MFCD01320173
SMILES: O=C1CCC(C1)C(=O)O
NSC Number: 19869
Properties
BP: 300.6°C at 760 mmHg  
Form: Solid  
MP: 61.85 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 150  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.4  
Upstream Synthesis Route
67-56-1    98-78-2    32811-75-9 

[1]Patent:WO2017/27582,2017,A1,.Locationinpatent:Page/Pagecolumn77

[2]Patent:CN107474024,2017,A,.Locationinpatent:Paragraph0408;0409;0410;0411

[3]Patent:WO2003/93231,2003,A2,.Locationinpatent:Page/Pagecolumn50

[4]Patent:WO2013/170030,2013,A1,.Locationinpatent:Page/Pagecolumn165-166

[5]Patent:WO2013/28474,2013,A1,.Locationinpatent:Page/Pagecolumn96

[6]Patent:EP2744499,2016,B1,.Locationinpatent:Paragraph0217

98-78-2    74-88-4    32811-75-9 

[1]JournaloftheAmericanChemicalSociety,2015,vol.137,#49,p.15518-15527

[2]Patent:WO2010/107765,2010,A1,.Locationinpatent:Page/Pagecolumn59

[3]Patent:US2014/275179,2014,A1,.Locationinpatent:Paragraph0809;0810

[4]Patent:US9067898,2015,B1,.Locationinpatent:Page/Pagecolumn75

[5]Patent:WO2015/134039,2015,A1,.Locationinpatent:Page/Pagecolumn89

98-78-2    32811-75-9 

[1]Patent:US4272437,1981,A,

98-78-2    7732-18-5    32811-75-9 

[1]Patent:US5675005,1997,A,

186581-53-3    98-78-2    32811-75-9 

[1]Patent:US4640931,1987,A,

Downstream Synthesis Route
50-00-0    98-78-2    6091-44-7   
3-oxo-4-piperidinomethyl-cyclopentanecarboxylicacid 

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2068,2072;engl.Ausg.S.2107,2110

64-17-5    98-78-2    5400-79-3 

[1]JournalofFluorineChemistry,2017,vol.199,p.60-66

[2]JournaloftheChemicalSociety,1908,vol.93,p.575

5400-79-3    98-78-2 

[1]JournaloftheChemicalSociety,1921,vol.119,p.499

98-78-2    13012-38-9 

[1]Nucleosides,nucleotidesandnucleicacids,2011,vol.30,p.897-907

[2]Patent:US2017/362235,2017,A1.Locationinpatent:Paragraph0213;0214

[3]BulletinoftheChemicalSocietyofJapan,1959,vol.32,p.223,224

[4]Chemicalandpharmaceuticalbulletin,1963,vol.11,p.829-834

98-78-2    71830-06-3 

[1]BulletinoftheChemicalSocietyofJapan,1959,vol.32,p.223,224

Literature fold

Title: 3-Oxocyclo-butane-carboxylic acid: hydrogen bonding in a small-ring γ-keto acid.

Journal: Acta crystallographica. Section E, Structure reports online20090301

Title: Modifications of the pyroglutamic acid and histidine residues in thyrotropin-releasing hormone (TRH) yield analogs with selectivity for TRH receptor type 2 over type 1.

Journal: Bioorganic & medicinal chemistry20070101

Title: (+/-)-3-Oxocyclopentanecarboxylic acid: The smallest keto acid known to aggregate by catemeric hydrogen bonding.

Journal: Acta crystallographica. Section C, Crystal structure communications20061201

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