Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Hexenoic acid, 6-(m-nitrophenyl)-4-oxo-
RN: 74038-57-6
InChIKey: VBUVBQVVUXMCTD-SNAWJCMRSA-N

Molecular Formula

  • C12-H11-N-O5

Molecular Weight

  • 249.221
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-10-00-03169 (Beilstein Handbook Reference)
  • 5-Hexenoic acid, 6-(m-nitrophenyl)-4-oxo-
  • 6-(m-Nitrophenyl)-4-oxo-5-hexenoic acid
  • BRN 3344617
  • NSC 81134

Systematic Names

  • 5-Hexenoic acid, 6-(3-nitrophenyl)-4-oxo- (9CI)
  • 5-Hexenoic acid, 6-(m-nitrophenyl)-4-oxo-

Registry Numbers

CAS Registry Number

  • 74038-57-6

System Generated Number

  • 0074038576

Structure Descriptors

InChI

1S/C12H11NO5/c14-11(6-7-12(15)16)5-4-9-2-1-3-10(8-9)13(17)18/h1-5,8H,6-7H2,(H,15,16)/b5-4+

InChIKey

VBUVBQVVUXMCTD-SNAWJCMRSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])\C=C\C(CCC(O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02477,