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Substance Name: 4-Bromocrotonic acid
RN: 13991-36-1
InChIKey: DOTGZROJTAUYFQ-OWOJBTEDSA-N

Note

  • Inhibitor of fatty acid oxidation & ketone body degradation in rat heart mitochondria.

Molecular Formula

  • C4-H5-Br-O2

Molecular Weight

  • 164.986
 
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Names and Synonyms

Name of Substance

  • 4-Bromocrotonic acid

Systematic Name

  • 2-Butenoic acid, 4-bromo-, (E)-

Registry Numbers

CAS Registry Number

  • 13991-36-1

System Generated Number

  • 0013991361

Structure Descriptors

InChI

1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+

InChIKey

DOTGZROJTAUYFQ-OWOJBTEDSA-N

Smiles

O=C(\C=C\CBr)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.200 (none)   EST
Water Solubility 3.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 1.58E-11 cm3/molecule-sec 25 EST

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