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QY9

Summary
Name:phenyl acetate
Formula:C8 H8 O2
Formal charge:0
Formula weight:136.148 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01phenyl acetate
OpenEye OEToolkits1.7.6phenyl ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Oc1ccccc1)C
InChIInChI1.03InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyInChI1.03IPBVNPXQWQGGJP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Oc1ccccc1
SMILESCACTVS3.385CC(=O)Oc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)Oc1ccccc1
SMILESOpenEye OEToolkits1.7.6CC(=O)Oc1ccccc1

218500

PDB entries from 2024-04-17

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