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Substance Name: 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester
RN: 68162-37-8
InChIKey: GCDFCMLXPJAPDK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H6-N2-O7

Molecular Weight

  • 242.142
 
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Names and Synonyms

Synonyms

  • 2-Nitro-3-(5-nitro-2-furanyl)-2-propenoic acid methyl ester
  • 3-(5-Nitro-2-furyl)-2-nitropropenoic acid, methyl ester
  • CCRIS 5653

Systematic Names

  • 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester
  • alpha,5-Dinitro-2-furanacrylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 68162-37-8

System Generated Number

  • 0068162378

Structure Descriptors

InChI

1S/C8H6N2O7/c1-16-8(11)6(9(12)13)4-5-2-3-7(17-5)10(14)15/h2-4H,1H3

InChIKey

GCDFCMLXPJAPDK-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 458 mg/L 25 EST
Vapor Pressure 1.54E-05 mm Hg 25 EST
Henry's Law Constant 2.05E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EST

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