VZQ
Summary
Name: | 4-[(acetyloxy)methyl]benzoic acid |
Formula: | C10 H10 O4 |
Formal charge: | 0 |
Formula weight: | 194.184 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-[(acetyloxy)methyl]benzoic acid |
OpenEye OEToolkits | 2.0.7 | 4-(acetyloxymethyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(COC(C)=O)cc1 |
InChI | InChI | 1.06 | InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
InChIKey | InChI | 1.06 | DLMONAQGOXNQGP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OCc1ccc(cc1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)OCc1ccc(cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)OCc1ccc(cc1)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)OCc1ccc(cc1)C(=O)O |