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Substance Name: 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, butyl ester
RN: 90147-19-6
InChIKey: GULVFSMZESEJBN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H13-N-O5

Molecular Weight

  • 239.226
 
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Names and Synonyms

Synonyms

  • 3-(5-Nitro-2-furanyl)-2-propenoic acid butyl ester
  • 5-Nitro-2-furylacrylic acid, butyl ester
  • CCRIS 5638

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 90147-19-6

System Generated Number

  • 0090147196

Structure Descriptors

InChI

1S/C11H13NO5/c1-2-3-8-16-11(13)7-5-9-4-6-10(17-9)12(14)15/h4-7H,2-3,8H2,1H3

InChIKey

GULVFSMZESEJBN-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.83 (none)   EXP
Water Solubility 42.3 mg/L 25 EST
Vapor Pressure 5.28E-05 mm Hg 25 EST
Henry's Law Constant 3.81E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-11 cm3/molecule-sec 25 EST

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