J0Z
Summary
Name: | benzyl acetate |
Formula: | C9 H10 O2 |
Formal charge: | 0 |
Formula weight: | 150.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | benzyl acetate |
OpenEye OEToolkits | 1.5.0 | phenylmethyl ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCc1ccccc1)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)OCc1ccccc1 |
SMILES | CACTVS | 3.341 | CC(=O)OCc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)OCc1ccccc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)OCc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChIKey | InChI | 1.03 | QUKGYYKBILRGFE-UHFFFAOYSA-N |