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Substance Name: 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1,1-dimethylethyl ester
RN: 97461-39-7
InChIKey: MBWSTIVJDFXNEZ-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 1,1-dimethylethyl ester
  • 5-Nitro-2-furylacrylic acid, t-butyl ester
  • CCRIS 5641

Systematic Names

  • 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1,1-dimethylethyl ester
  • 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 97461-39-7

System Generated Number

  • 0097461397

Structure Descriptors

InChI

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

InChIKey

MBWSTIVJDFXNEZ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.06 (none)   EXP
Water Solubility 26.9 mg/L 25 EST
Vapor Pressure 1.20E-04 mm Hg 25 EST
Henry's Law Constant 3.81E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.50E-11 cm3/molecule-sec 25 EST

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