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Substance Name: 2-Furanacrylic acid, 5-nitro-, methyl ester
RN: 1874-24-4
InChIKey: JZRVJMACQGFSRG-HWKANZROSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H7-N-O5

Molecular Weight

  • 197.145
 
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Names and Synonyms

Synonyms

  • 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, methyl ester
  • 3-(5-Nitro-2-furanyl)-2-propenoic acid methyl ester
  • 5-18-06-00316 (Beilstein Handbook Reference)
  • 5-Nitro-2-furanacrylic acid methyl ester
  • 5-Nitro-2-furylacrylic acid, methyl ester
  • BRN 0174680
  • CCRIS 5634
  • Methyl 5-nitro-2-furanacrylate

Systematic Names

  • 2-Furanacrylic acid, 5-nitro-, methyl ester
  • 5-Nitro-2-furanacrylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 1874-24-4

System Generated Number

  • 0001874244

Structure Descriptors

InChI

1S/C8H7NO5/c1-13-8(10)5-3-6-2-4-7(14-6)9(11)12/h2-5H,1H3/b5-3+

InChIKey

JZRVJMACQGFSRG-HWKANZROSA-N

Smiles

c1(oc([N+](=O)[O-])cc1)\C=C\C(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 719 mg/L 25 EST
Vapor Pressure 9.26E-04 mm Hg 25 EST
Henry's Law Constant 1.63E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.47E-11 cm3/molecule-sec 25 EST

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