2-benzyl-5-cyano-4-oxopentanoic acid

Modify Date: 2024-04-09 21:28:08

2-benzyl-5-cyano-4-oxopentanoic acid Structure
2-benzyl-5-cyano-4-oxopentanoic acid structure
Common Name 2-benzyl-5-cyano-4-oxopentanoic acid
CAS Number 126121-83-3 Molecular Weight 231.24700
Density 1.215g/cm3 Boiling Point 425ºC at 760mmHg
Molecular Formula C13H13NO3 Melting Point N/A
MSDS N/A Flash Point 210.9ºC

 Names

Name 2-benzyl-5-cyano-4-oxopentanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.215g/cm3
Boiling Point 425ºC at 760mmHg
Molecular Formula C13H13NO3
Molecular Weight 231.24700
Flash Point 210.9ºC
Exact Mass 231.09000
PSA 78.16000
LogP 1.80278
Vapour Pressure 5.55E-08mmHg at 25°C
Index of Refraction 1.547
InChIKey AQDFTKPHMZIIEF-LLVKDONJSA-N
SMILES N#CCC(=O)CC(Cc1ccccc1)C(=O)O

 Synonyms

Benzenepropanoic acid,a-(3-cyano-2-oxopropyl)-,(R)-(9CI)
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