(S)-(+)-Mandelic acid | SBID = 133 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 57.5
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.6
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 118.6
Sum Formula: C8H8O3
M / g/mol: 152.149
Complexity: 138.0
Number of Conformers: 9.0

Identifiers

  • Tags: aromatic
  • Name: (S)-(+)-Mandelic acid
  • Preferred Abbreviation: (S)-Mandelic acid
  • IUPAC Name: (2S)-2-hydroxy-2-phenylacetic acid
  • CAS: 17199-29-0
  • CID: 439616
  • InChiKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N
  • InChi: 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
  • CanoSmiles: C1=CC=C(C=C1)C(C(=O)O)O
  • IsoSmiles: C1=CC=C(C=C1)[C@@H](C(=O)O)O