Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)

CAS Registry Number®

61618-27-7

CAS Name

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)

Molecular Formula

C15H13NO3.H2O.Na

Cite this Page

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61618-27-7 (retrieved 2024-11-24) (CAS RN: 61618-27-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2

InChIKey

InChIKey=KEUITCXSWDYBKI-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(N)C(CC(O)=O)=CC=C1)C2=CC=CC=C2.[Na].O

Canonical SMILES

[Na].O=C(O)CC=1C=CC=C(C(=O)C=2C=CC=CC2)C1N.O

Other Names for this Substance

  • Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)
  • Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt, monohydrate

CAS INSIGHTSTM
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