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Substance Name: m-Nitrocinnamic acid
RN: 555-68-0
InChIKey: WWXMVRYHLZMQIG-SNAWJCMRSA-N

Note

  • A genotoxic nitro compound.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H7-N-O4

Molecular Weight

  • 193.157
 
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Names and Synonyms

Name of Substance

  • m-Nitrocinnamic acid

Synonyms

  • 2-Propenoic acid, 3-(3-nitrophenyl)-
  • 3-Nitrobenzenepropenoic acid
  • 3-Nitrocinnamic acid
  • AI3-08847
  • CCRIS 1667
  • Cinnamic acid, m-nitro
  • EINECS 209-104-2
  • m-Nitrocinnamic acid
  • NSC 5408

Systematic Names

  • 2-Propenoic acid, 3-(3-nitrophenyl)-
  • 3-Nitrocinnamic acid
  • Cinnamic acid, m-nitro-
  • m-Nitrocinnamic acid

Registry Numbers

CAS Registry Number

  • 555-68-0

System Generated Number

  • 0000555680

Structure Descriptors

InChI

1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+

InChIKey

WWXMVRYHLZMQIG-SNAWJCMRSA-N

Smiles

O=C(O)\C=C\c1cccc([N+]([O-])=O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 250mg/kg (250mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: REGIDITY

BEHAVIORAL: ATAXIA
Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 77, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 179 deg C   EXP
log P (octanol-water) 1.890 (none)   EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.