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Substance Name: 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, propyl ester
RN: 90147-18-5
InChIKey: WETGLJBXPSYGIK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H11-N-O5

Molecular Weight

  • 225.199
 
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Names and Synonyms

Synonyms

  • 3-(5-Nitro-2-furanyl)-2-propenoic acid propyl ester
  • 5-Nitro-2-furylacrylic acid, propyl ester
  • CCRIS 5636

Systematic Names

  • 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, propyl ester
  • 5-Nitro-2-furanacrylic acid, propyl ester

Registry Numbers

CAS Registry Number

  • 90147-18-5

System Generated Number

  • 0090147185

Structure Descriptors

InChI

1S/C10H11NO5/c1-2-7-15-10(12)6-4-8-3-5-9(16-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey

WETGLJBXPSYGIK-UHFFFAOYSA-N

Smiles

C(=O)(OCCC)\C=C\c1oc([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.67 (none)   EXP
Water Solubility 69 mg/L 25 EST
Vapor Pressure 1.31E-04 mm Hg 25 EST
Henry's Law Constant 2.87E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.77E-11 cm3/molecule-sec 25 EST

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