3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

CAS Registry Number®

83249-02-9
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CAS Name

3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

Molecular Formula

C7H7NO2

Molecular Mass

137.14

Cite this Page

3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83249-02-9 (retrieved 2024-09-06) (CAS RN: 83249-02-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-189.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C7H7NO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-3H2,(H,9,10)

InChIKey

InChIKey=MFBJJYLOKZSNPI-UHFFFAOYSA-N

SMILES

C(O)(=O)C12CC(C#N)(C1)C2

Canonical SMILES

N#CC12CC(C(=O)O)(C1)C2

Other Names for this Substance

  • Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-
  • 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid
  • 3-Cyanobicyclo[1.1.1]pentan-1-carboxylicacid