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Substance Name: 2-Benzyl-5-cyano-4-oxopentanoic acid
RN: 126121-83-3
InChIKey: AQDFTKPHMZIIEF-LLVKDONJSA-N

Molecular Formula

  • C13-H13-N-O3

Molecular Weight

  • 231.25
 
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Names and Synonyms

Name of Substance

  • 2-Benzyl-5-cyano-4-oxopentanoic acid

Synonym

  • BCOPA

Systematic Name

  • Benzenepropanoic acid, alpha-(3-cyano-2-oxopropyl)-, (R)-

Registry Numbers

CAS Registry Number

  • 126121-83-3

System Generated Number

  • 0126121833

Structure Descriptors

InChI

1S/C13H13NO3/c14-7-6-12(15)9-11(13(16)17)8-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2,(H,16,17)/t11-/m1/s1

InChIKey

AQDFTKPHMZIIEF-LLVKDONJSA-N

Smiles

c1(ccccc1)C[C@@H](C(=O)O)CC(CC#N)=O