3,5-Dinitrobenzenepropanoic acid

CAS Registry Number®

42287-92-3
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CAS Name

3,5-Dinitrobenzenepropanoic acid

Molecular Formula

C9H8N2O6

Molecular Mass

240.17

Cite this Page

3,5-Dinitrobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42287-92-3 (retrieved 2024-09-03) (CAS RN: 42287-92-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O6/c12-9(13)2-1-6-3-7(10(14)15)5-8(4-6)11(16)17/h3-5H,1-2H2,(H,12,13)

InChIKey

InChIKey=KYBGWGFVJJRIMR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC=1C=C(C=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzenepropanoic acid, 3,5-dinitro-
  • 3,5-Dinitrobenzenepropanoic acid
  • 3,5-Dinitrohydrocinnamic acid