CAS Registry Number®
427-49-6
CAS Name
α-Cyclopentylmandelic acid
Molecular Formula
C13H16O3
Molecular Mass
220.26
Compound Properties
-
Melting Point (1)
147-148 °C
Source(s)
- (1) Biel, John H.; Journal of the American Chemical Society, (1952), 74, 1485-8, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChIKey
InChIKey=WFLUEQCOAQCQLP-UHFFFAOYSA-N
SMILES
C(C(O)=O)(O)(C1=CC=CC=C1)C2CCCC2
Canonical SMILES
O=C(O)C(O)(C=1C=CC=CC1)C2CCCC2
Other Names for this Substance
- Benzeneacetic acid, α-cyclopentyl-α-hydroxy-
- Mandelic acid, α-cyclopentyl-
- α-Cyclopentyl-α-hydroxybenzeneacetic acid
- Cyclopentylphenylglycolic acid
- α-Cyclopentylmandelic acid
- NSC 96637
- 2-Cyclopentyl-2-hydroxy-2-(phenyl)acetic acid
- (±)-Cyclopentylmandelic acid
- Cyclopentylhydroxyphenylacetic acid
Deleted or Replaced CAS Registry Numbers
64471-41-6
