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Summary
Name: | METHYL VANILLATE |
Formula: | C9 H10 O4 |
Formal charge: | 0 |
Formula weight: | 182.173 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | methyl 4-hydroxy-3-methoxybenzoate |
OpenEye OEToolkits | 1.5.0 | methyl 4-hydroxy-3-methoxy-benzoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC)c1cc(OC)c(O)cc1 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1ccc(O)c(OC)c1 |
SMILES | CACTVS | 3.341 | COC(=O)c1ccc(O)c(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
InChIKey | InChI | 1.03 | BVWTXUYLKBHMOX-UHFFFAOYSA-N |