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Substance Name: 3-Methyl-5-isoxazolecarboxylic acid
RN: 4857-42-5
InChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-N

Molecular Formula

  • C5-H5-N-O3

Molecular Weight

  • 127.0985
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-5-isoxazolecarboxylic acid

Synonym

  • EINECS 225-454-9

Systematic Name

  • 3-Methylisoxazole-5-carboxylic acid

Registry Numbers

CAS Registry Number

  • 4857-42-5

System Generated Number

  • 0004857425

Structure Descriptors

InChI

1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)

InChIKey

BNMPIJWVMVNSRD-UHFFFAOYSA-N

Smiles

Cc1cc(no1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.2 (none)   EXP
log P (octanol-water) 0.68 (none)   EXP
Water Solubility 2.48E+04 mg/L 25 EST
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 1.26E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.14E-12 cm3/molecule-sec 25 EST

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