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2275-26-5,MFCD00090733
Catalog No.:AA007NUG

2275-26-5 | 3-(2-Oxocyclohexyl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
2 weeks  
$393.00   $275.00
- +
250mg
2 weeks  
$447.00   $313.00
- +
500mg
2 weeks  
$500.00   $350.00
- +
1g
2 weeks  
$572.00   $400.00
- +
5g
2 weeks  
$1,375.00   $963.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007NUG
Chemical Name:
3-(2-Oxocyclohexyl)propanoic acid
CAS Number:
2275-26-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00090733
SMILES:
OC(=O)CCC1CCCCC1=O
NSC Number:
119501
Properties
Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.8  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,1937,p.817,823

[2]JournaloftheIndianChemicalSociety,1957,vol.34,p.266,273

[3]ChemischeBerichte,1941,vol.74,p.681

[4]CanadianJournalofChemistry,1982,vol.60,p.29-34

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: (+/-)-2-oxocyclohexanepropionic acid: dual conformational selection and hydrogen bonding in a delta-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts.

Journal: Acta crystallographica. Section C, Crystal structure communications 20031101

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SDS
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