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16205-98-4,MFCD01320172
Catalog No.:AA001SM7

16205-98-4 | 3-Oxocyclohexanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$12.00   $8.00
- +
250mg
95%
in stock  
$28.00   $19.00
- +
500mg
95%
in stock  
$52.00   $36.00
- +
1g
95%
in stock  
$54.00   $38.00
- +
5g
95%
in stock  
$248.00   $174.00
- +
10g
96%
in stock  
$393.00   $275.00
- +
25g
96%
in stock  
$774.00   $542.00
- +
100g
96%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001SM7
Chemical Name:
3-Oxocyclohexanecarboxylic acid
CAS Number:
16205-98-4
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD01320172
SMILES:
O=C1CCCC(C1)C(=O)O
Properties
Properties
 
BP:
309.7°C at 760 mmHg  
Form:
Solid  
MP:
70-74°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
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:
-0.1  

Synonyms
 
  
Upstream Synthesis Route

[1]Patent:WO2006/82409,2006,A2,.Locationinpatent:Page/Pagecolumn15

[1]Patent:US5892041,1999,A,

[1]Patent:US2011/98299,2011,A1,.Locationinpatent:Page/Pagecolumn23

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

[3]JournaloftheChemicalSociety,1909,vol.95,p.2016

[4]Patent:WO2014/11902,2014,A1,.Locationinpatent:Paragraph00284-00285

[5]Patent:WO2014/194242,2014,A2,.Locationinpatent:Paragraph00353;00356

[1]Patent:WO2014/11902,2014,A1,.Locationinpatent:Paragraph00282-00283

[2]Patent:WO2014/194242,2014,A2,.Locationinpatent:Paragraph00353;00355

[1]JournaloftheAmericanChemicalSociety,2008,vol.130,#19,p.6072-6073

Downstream Synthesis Route

[1]Patent:US2011/98299,2011,A1.Locationinpatent:Page/Pagecolumn23

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

[3]JournaloftheChemicalSociety,1909,vol.95,p.2016

[4]Patent:WO2014/11902,2014,A1.Locationinpatent:Paragraph00284-00285

[5]Patent:WO2014/194242,2014,A2.Locationinpatent:Paragraph00353;00356

74-90-8    16205-98-4   
3-cyano-3-hydroxy-cyclohexanecarboxylicacid 

[1]ChemischeBerichte,1889,vol.22,p.2183

[1]TetrahedronLetters,1988,vol.29,p.6783-6786

[1]BulletindelaSocieteChimiquedeFrance,1989,p.95-97

[1]BulletinoftheChemicalSocietyofJapan,1984,vol.57,p.611-612

Literature

Title: (+/-)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020301

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SDS
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Tags:16205-98-4 Molecular Formula|16205-98-4 MDL|16205-98-4 SMILES|16205-98-4 3-Oxocyclohexanecarboxylic acid
Catalog No.: AA001SM7
16205-98-4,MFCD01320172
16205-98-4 | 3-Oxocyclohexanecarboxylic acid
Pack Size： 100mg
Purity： 95%
in stock
$12.00 $8.00
Pack Size： 250mg
Purity： 95%
in stock
$28.00 $19.00
Pack Size： 500mg
Purity： 95%
in stock
$52.00 $36.00
Pack Size： 1g
Purity： 95%
in stock
$54.00 $38.00
Pack Size： 5g
Purity： 95%
in stock
$248.00 $174.00
Pack Size： 10g
Purity： 96%
in stock
$393.00 $275.00
Pack Size： 25g
Purity： 96%
in stock
$774.00 $542.00
Pack Size： 100g
Purity： 96%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001SM7
Chemical Name: 3-Oxocyclohexanecarboxylic acid
CAS Number: 16205-98-4
Molecular Formula: C7H10O3
Molecular Weight: 142.1525
MDL Number: MFCD01320172
SMILES: O=C1CCCC(C1)C(=O)O
Properties
BP: 309.7°C at 760 mmHg  
Form: Solid  
MP: 70-74°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 162  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
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: -0.1  
43:   
Upstream Synthesis Route
16205-98-4    100-63-0    37964-14-0 

[1]Patent:WO2006/82409,2006,A2,.Locationinpatent:Page/Pagecolumn15

16205-98-4    37964-14-0 

[1]Patent:US5892041,1999,A,

64-17-5    16205-98-4    33668-25-6 

[1]Patent:US2011/98299,2011,A1,.Locationinpatent:Page/Pagecolumn23

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

[3]JournaloftheChemicalSociety,1909,vol.95,p.2016

[4]Patent:WO2014/11902,2014,A1,.Locationinpatent:Paragraph00284-00285

[5]Patent:WO2014/194242,2014,A2,.Locationinpatent:Paragraph00353;00356

606488-94-2    16205-98-4 

[1]Patent:WO2014/11902,2014,A1,.Locationinpatent:Paragraph00282-00283

[2]Patent:WO2014/194242,2014,A2,.Locationinpatent:Paragraph00353;00355

17983-30-1    16205-98-4 

[1]JournaloftheAmericanChemicalSociety,2008,vol.130,#19,p.6072-6073

Downstream Synthesis Route
64-17-5    16205-98-4    33668-25-6 

[1]Patent:US2011/98299,2011,A1.Locationinpatent:Page/Pagecolumn23

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

[3]JournaloftheChemicalSociety,1909,vol.95,p.2016

[4]Patent:WO2014/11902,2014,A1.Locationinpatent:Paragraph00284-00285

[5]Patent:WO2014/194242,2014,A2.Locationinpatent:Paragraph00353;00356

74-90-8    16205-98-4   
3-cyano-3-hydroxy-cyclohexanecarboxylicacid 

[1]ChemischeBerichte,1889,vol.22,p.2183

186581-53-3    16205-98-4    123364-13-6 

[1]TetrahedronLetters,1988,vol.29,p.6783-6786

930-68-7    124-38-9    16205-98-4 

[1]BulletindelaSocieteChimiquedeFrance,1989,p.95-97

930-68-7    124-38-9    16205-98-4    108-94-1 

[1]BulletinoftheChemicalSocietyofJapan,1984,vol.57,p.611-612

Literature fold

Title: (+/-)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids.

Journal: Acta crystallographica. Section C, Crystal structure communications20020301

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1706435-74-6
1706435-74-6
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