Benzoic acid, 4-(cyanomethyl)-, methyl ester

CAS Registry Number®

76469-88-0

CAS Name

Benzoic acid, 4-(cyanomethyl)-, methyl ester

Molecular Formula

C10H9NO2

Molecular Mass

175.18

Cite this Page

Benzoic acid, 4-(cyanomethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76469-88-0 (retrieved 2024-11-22) (CAS RN: 76469-88-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    150-155 °C @ Press: 0.5 Torr

  • Melting Point (1)

    60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3

InChIKey

InChIKey=XRZGMNGGCZTNGE-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC=C(CC#N)C=C1

Canonical SMILES

N#CCC1=CC=C(C=C1)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 4-(cyanomethyl)-, methyl ester
  • p-Toluic acid, α-cyano-, methyl ester
  • Methyl 4-cyanomethylbenzoate
  • Methyl p-(cyanomethyl)benzoate
  • Methyl α-cyano-p-toluate

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