1-Cyanocyclohexaneacetic acid[1-氰基环己烷乙酸]

133481-09-1

CAS Name

1-Cyanocyclohexaneacetic acid

Molecular Formula

C₉H₁₃NO₂

Molecular Mass

167.21

Compound Properties

• Melting Point (1)

  103-105 °C

Source(s)

• (1) Zhu, Dunming; Advanced Synthesis & Catalysis, (2007), 349(10), 1667-1670, CAplus

Other Names and Identifiers

InChI

InChI=1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12)

InChIKey

InChIKey=YGFXLCAKCKPSQQ-UHFFFAOYSA-N

SMILES

C(C(O)=O)C1(C#N)CCCCC1

Canonical SMILES

N#CC1(CC(=O)O)CCCCC1

Other Names for this Substance