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Substance Name: alpha-Methylcinnamic acid
RN: 1199-77-5
InChIKey: XNCRUNXWPDJHGV-BQYQJAHWSA-N

Note

  • Inhibits type 5 17beta-HSD.

Molecular Formula

  • C10-H10-O2

Molecular Weight

  • 162.187
 
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Names and Synonyms

Synonyms

  • AI3-23408
  • EINECS 214-847-0

Systematic Names

  • 2-Propenoic acid, 2-methyl-3-phenyl-
  • alpha-Methylcinnamic acid

Registry Numbers

CAS Registry Number

  • 1199-77-5

System Generated Number

  • 0001199775

Structure Descriptors

InChI

1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+

InChIKey

XNCRUNXWPDJHGV-BQYQJAHWSA-N

Smiles

c1(\C=C(\C(O)=O)C)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79-81 deg C   EXP
log P (octanol-water) 2.6 (none)   EXP
Water Solubility 1000 mg/L 25 EST
Henry's Law Constant 2.03E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.29E-11 cm3/molecule-sec 25 EST

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