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Substance Name: Methyl 3-furoate
RN: 13129-23-2
UNII: V05P3H54N5
InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-O3

Molecular Weight

  • 126.1104
 
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Names and Synonyms

Name of Substance

  • Methyl 3-furoate

Synonyms

  • 3-(Methoxycarbonyl)furan
  • 3-Furancarboxylic acid, methyl ester
  • 3-Furoic acid, methyl ester
  • Methyl 3-furoate
  • NSC-305748
  • UNII-V05P3H54N5

Registry Numbers

CAS Registry Number

  • 13129-23-2

FDA UNII

  • V05P3H54N5

System Generated Number

  • 0013129232

Structure Descriptors

InChI

1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3

InChIKey

ZKHQSQYLKSSYIP-UHFFFAOYSA-N

Smiles

COC(=O)c1ccoc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 160 deg C   EXP
log P (octanol-water) 1.28 (none)   EXP
Water Solubility 7680 mg/L 25 EST
Vapor Pressure 2.550 mm Hg 25 EST
Henry's Law Constant 3.46E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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