(2S)-2-(Phenylmethyl)butanedioic acid

CAS Registry Number®

3972-36-9

CAS Name

(2S)-2-(Phenylmethyl)butanedioic acid

Molecular Formula

C11H12O4

Molecular Mass

208.21

Cite this Page

(2S)-2-(Phenylmethyl)butanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3972-36-9 (retrieved 2024-11-22) (CAS RN: 3972-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1

InChIKey

InChIKey=GTOFKXZQQDSVFH-VIFPVBQESA-N

SMILES

[C@H](CC1=CC=CC=C1)(CC(O)=O)C(O)=O

Canonical SMILES

O=C(O)CC(C(=O)O)CC=1C=CC=CC1

Other Names for this Substance

  • Butanedioic acid, 2-(phenylmethyl)-, (2S)-
  • Butanedioic acid, (phenylmethyl)-, (S)-
  • Butanedioic acid, (phenylmethyl)-, (2S)-
  • (2S)-2-(Phenylmethyl)butanedioic acid
  • 2(S)-Benzyl-3-carboxypropionic acid

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