2-hydroxy-3-phenylpropanoic acid | SBID = 2543 | Compound | Pubchem logo

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 57.5
Ertl TPSA/Å2: 57.53
Hydrophilicity (PubChem XLogP): 1.1
Hydrophilicity (Cheng XLogP3): 2.11
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: 131.4
Sum Formula: C9H10O3
M / g/mol: 166.17
Complexity: 150.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: 2-hydroxy-3-phenylpropanoic acid
  • Preferred Abbreviation: DL-3-Phenyllactic acid
  • IUPAC Name: 2-hydroxy-3-phenylpropanoic acid
  • CAS:
  • CID: 3848
  • InChiKey: VOXXWSYKYCBWHO-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
  • CanoSmiles: C1=CC=C(C=C1)CC(C(=O)O)O
  • IsoSmiles: C1=CC=C(C=C1)CC(C(=O)O)O