C1=CC=C(C=C1)CC(C(=O)O)O
CAS: 20312-36-1
Name: (2S)-2-hydroxy-3-phenylpropanoic acid
SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

Molecular Processing

Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
0.67
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
43.79

Supplementary Information

InChIKey: VOXXWSYKYCBWHO-QMMMGPOBSA-N
Synonyme
20312-36-1L-(-)-3-Phenyllactic acid(2S)-2-hydroxy-3-phenylpropanoic acid(S)-3-phenyllactic acidL-beta-Phenyllactic acidL-Phenyllactic acidALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDKW7SNV9X8B(-)-3-Phenyllactic acid3-Phenyllactic acid, (S)-Lactic acid, 3-phenyl-, (S)-EINECS 243-726-5CHEBI:43065DTXSID801342710Benzenepropanoic acid, .alpha.-hydroxy-, (.alpha.S)-RefChem:504951DTXCID101771689BENZENEPROPANOIC ACID, ALPHA-HYDROXY-, (ALPHAS)-243-726-5(S)-2-Hydroxy-3-phenylpropanoic acid(S)-2-Hydroxy-3-phenylpropionic acidL-3-phenyllactic acid(S)-(-)-3-Phenyllactic acid(S)-(-)-2-Hydroxy-3-phenylpropionic AcidD-Phenyllactic acidMFCD00004244D-3-Phenyllactate(S)-phenyllactic acid(R)-phenyllactateD-b-Phenyllactic acid
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