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Substance Name: Atropic acid
RN: 492-38-6
UNII: TW16UA35S0
InChIKey: ONPJWQSDZCGSQM-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O2

Molecular Weight

  • 148.16
 
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Names and Synonyms

Name of Substance

  • Atropic acid

Synonyms

  • 2-Phenylacrylic acid
  • 2-Propenoic acid, 2-phenyl-
  • Acrylic acid, 2-phenyl-
  • alpha-Phenyl acrylic acid
  • alpha-Toluic acid, alpha-methylene-
  • Atropic acid
  • EINECS 207-753-6
  • NSC 20987
  • UNII-TW16UA35S0

Systematic Names

  • Atropic acid
  • Benzeneacetic acid, alpha-methylene-
  • Benzeneacetic acid, alpha-methylene- (9CI)

Registry Numbers

CAS Registry Number

  • 492-38-6

FDA UNII

  • TW16UA35S0

System Generated Number

  • 0000492386

Structure Descriptors

InChI

1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)

InChIKey

ONPJWQSDZCGSQM-UHFFFAOYSA-N

Smiles

c1ccccc1C(=C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106.5 deg C   EXP
log P (octanol-water) 2.210 (none)   EST
Water Solubility 1300 mg/L 20 EXP
Atmospheric OH Rate Constant 2.03E-11 cm3/molecule-sec 25 EST

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