Carbasalate calcium

CAS Registry Number®

5749-67-7
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CAS Name

Carbasalate calcium

Molecular Formula

C9H8O4.CH4N2O.1/2Ca

Cite this Page

Carbasalate calcium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=5749-67-7 (retrieved 2022-12-05) (CAS RN: 5749-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8O4.CH4N2O.Ca/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2-5H,1H3,(H,11,12);(H4,2,3,4);

InChIKey

InChIKey=LWUQBSVJOMGTOY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Ca].O=C(N)N.O=C(O)C=1C=CC=CC1OC(=O)C

Other Names for this Substance

  • Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (2:1:2)
  • Salicylic acid acetate, calcium salt, compd. with urea (1:1)
  • Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1)
  • Urea, compd. with salicylic acid acetate calcium salt (1:1)
  • Urea, compd. with calcium bis[2-(acetyloxy)benzoate] (1:1)

Deleted or Replaced CAS Registry Numbers

525-29-1, 3063-60-3, 6767-72-2