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30414-54-1,MFCD00040995
Catalog No.:AA002ZZ4

30414-54-1 | Methyl 3-oxohexanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
- +
100g
98%
in stock  
$62.00   $43.00
- +
500g
98%
in stock  
$200.00   $140.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002ZZ4
Chemical Name:
Methyl 3-oxohexanoate
CAS Number:
30414-54-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00040995
SMILES:
CCCC(=O)CC(=O)OC
Properties
Properties
 
BP:
193°C at 760 mmHg  
Form:
Liquid  
MP:
-43 °C  
Refractive Index:
1.426  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
129  
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:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Patent:WO2010/118367,2010,A2,.Locationinpatent:Page/Pagecolumn51

[2]JournalofEnzymeInhibitionandMedicinalChemistry,2016,vol.31,#6,p.1362-1368

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7180-7184

[1]LiebigsAnnalenderChemie,1989,p.303-306

Downstream Synthesis Route

[1]Synthesis,1987,p.188-190

[2]ArchivderPharmazie,1959,vol.292,p.508,517

[1]Tetrahedron,2015,vol.71,p.7459-7469

[2]JournaloftheAmericanChemicalSociety,1974,vol.96,p.1082-1087

[1]LiebigsAnnalenderChemie,1989,p.303-306

[1]ChemistryLetters,1980,p.257-260

[2]AngewandteChemie-InternationalEdition,2013,vol.52,p.5961-5964    Angew.Chem.,2013,vol.125,p.6077-6080,4

[1]Tetrahedron,1997,vol.53,p.8881-8886

[2]TetrahedronLetters,1984,vol.25,p.1871-1874

[3]BioorganicandMedicinalChemistry,2004,vol.12,p.683-692

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:30414-54-1 Molecular Formula|30414-54-1 MDL|30414-54-1 SMILES|30414-54-1 Methyl 3-oxohexanoate
Catalog No.: AA002ZZ4
30414-54-1,MFCD00040995
30414-54-1 | Methyl 3-oxohexanoate
Pack Size： 5g
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 10g
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 25g
Purity： 98%
in stock
$16.00 $11.00
Pack Size： 100g
Purity： 98%
in stock
$62.00 $43.00
Pack Size： 500g
Purity： 98%
in stock
$200.00 $140.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002ZZ4
Chemical Name: Methyl 3-oxohexanoate
CAS Number: 30414-54-1
Molecular Formula: C7H12O3
Molecular Weight: 144.1684
MDL Number: MFCD00040995
SMILES: CCCC(=O)CC(=O)OC
Properties
BP: 193°C at 760 mmHg  
Form: Liquid  
MP: -43 °C  
Refractive Index: 1.426  
Storage: Keep in dry area;2-8℃;  
Complexity: 129  
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: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Upstream Synthesis Route
17356-08-0    30414-54-1    51-52-5 

[1]Patent:WO2010/118367,2010,A2,.Locationinpatent:Page/Pagecolumn51

[2]JournalofEnzymeInhibitionandMedicinalChemistry,2016,vol.31,#6,p.1362-1368

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7180-7184

674-82-8    30414-54-1    55382-52-0 

[1]LiebigsAnnalenderChemie,1989,p.303-306

Downstream Synthesis Route
30414-54-1    36061-75-3 

[1]Synthesis,1987,p.188-190

[2]ArchivderPharmazie,1959,vol.292,p.508,517

74-96-4    105-45-3    30414-54-1 

[1]Tetrahedron,2015,vol.71,p.7459-7469

[2]JournaloftheAmericanChemicalSociety,1974,vol.96,p.1082-1087

674-82-8    30414-54-1    55382-52-0 

[1]LiebigsAnnalenderChemie,1989,p.303-306

2396-77-2    30414-54-1 

[1]ChemistryLetters,1980,p.257-260

[2]AngewandteChemie-InternationalEdition,2013,vol.52,p.5961-5964    Angew.Chem.,2013,vol.125,p.6077-6080,4

75-03-6    105-45-3    30414-54-1 

[1]Tetrahedron,1997,vol.53,p.8881-8886

[2]TetrahedronLetters,1984,vol.25,p.1871-1874

[3]BioorganicandMedicinalChemistry,2004,vol.12,p.683-692

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