Calcium benzoate

CAS Registry Number®

2090-05-3

CAS Name

Calcium benzoate

Molecular Formula

C7H6O2.1/2Ca

Cite this Page

Calcium benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2090-05-3 (retrieved 2024-12-10) (CAS RN: 2090-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H6O2.Ca/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);

InChIKey

InChIKey=XHPUEGFRYMODBR-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=CC=C1.[Ca]

Canonical SMILES

[Ca].O=C(O)C=1C=CC=CC1

Other Names for this Substance

  • Benzoic acid, calcium salt (2:1)
  • Benzoic acid, calcium salt
  • Calcium benzoate
  • Calcium dibenzoate
  • Benzocalol

Deleted or Replaced CAS Registry Numbers

1081802-93-8

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background