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Substance Name: Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
RN: 69513-13-9
InChIKey: HZCMOCLXXIOKRG-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-N-O7

Molecular Weight

  • 283.235
 
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Names and Synonyms

Synonyms

  • 1,1-Bis(ethoxycarbonyl)-2-(5-nitro-2-furyl)ethylene
  • Diethyl ((5-nitro-2-furanyl)methylene)propanedioate

Systematic Name

  • Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 69513-13-9

System Generated Number

  • 0069513139

Structure Descriptors

InChI

1S/C12H13NO7/c1-3-18-11(14)9(12(15)19-4-2)7-8-5-6-10(20-8)13(16)17/h5-7H,3-4H2,1-2H3

InChIKey

HZCMOCLXXIOKRG-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.5 (none)   EXP
Water Solubility 45.8 mg/L 25 EST
Vapor Pressure 2.63E-05 mm Hg 25 EST
Henry's Law Constant 4.30E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.87E-11 cm3/molecule-sec 25 EST

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