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Substance Name: Mandelic acid, (S)-
RN: 17199-29-0
UNII: L0UMW58G3T
InChIKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 
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Names and Synonyms

Name of Substance

  • Mandelic acid, (S)-

Synonyms

  • alpha-Hydroxybenzeneacetic acid, (S)-
  • EC 241-240-8
  • EINECS 241-240-8
  • Mandelic acid, L-
  • UNII-L0UMW58G3T

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, (alphaS)-
  • Benzeneacetic acid, alpha-hydroxy-, (S)-
  • D-2-Hydroxy-2-phenylacetic acid

Registry Numbers

CAS Registry Number

  • 17199-29-0

FDA UNII

  • L0UMW58G3T

Other Registry Number

  • 14447-36-0

System Generated Number

  • 0017199290

Structure Descriptors

InChI

1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1

InChIKey

IWYDHOAUDWTVEP-ZETCQYMHSA-N

Smiles

O[C@H](C(=O)O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134 deg C   EXP
log P (octanol-water) 0.570 (none)   EST
Water Solubility 2.20E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EST

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