2-HYDROXY-1-PHENYLETHYL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 45V346A3MG

Structure

InChI Key LOLNQOPVHRAGHR-UHFFFAOYSA-N
Smiles O=C(OC(C=1C=CC=CC1)CO)C
InChI
InChI=1/C10H12O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O3
Molecular Weight 180.08
AlogP 1.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 10522-02-8
NORMAN SUSDAT
FDA SRS 45V346A3MG
PubChem 112060
CONTENTS