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J0Z

Summary
Name:benzyl acetate
Formula:C9 H10 O2
Formal charge:0
Formula weight:150.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04benzyl acetate
OpenEye OEToolkits1.5.0phenylmethyl ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCc1ccccc1)C
SMILES_CANONICALCACTVS3.341CC(=O)OCc1ccccc1
SMILESCACTVS3.341CC(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)OCc1ccccc1
SMILESOpenEye OEToolkits1.5.0CC(=O)OCc1ccccc1
InChIInChI1.03InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyInChI1.03QUKGYYKBILRGFE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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