O-Acetylmandelic acid
2-acetyloxy-2-phenylacetic acid
Molecular Identity
O-Acetylmandelic acid
2-acetyloxy-2-phenylacetic acid
PubChem CID: 225215
2D Structure
Properties
C10H10O4
Molecular Formula
194.18
Molecular Weight
g/mol
194.0579
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
218
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC(C1=CC=CC=C1)C(=O)OIsomeric SMILES
SMILES: CC(=O)OC(C1=CC=CC=C1)C(=O)OSynonyms(20)
5438-68-6O-Acetylmandelic acidRefChem:1093608O-acetyl mandelic acid2-acetyloxy-2-phenylacetic acid2-acetoxy-2-phenylacetic acid2-Acetyloxy-2-phenyl-acetic acidDL-O-Acetyl Mandelic AcidMFCD00662355(S)-(+)-O-Acetyl-L-mandelic acid(acetyloxy)(phenyl)acetic acidNSC-14369(R)-(-)-alpha-Acetoxyphenylacetic acid2-acetoxy-2-phenyl-acetic acid2-Acetylmandelic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to O-Acetylmandelic acid
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