3SK
Summary
Name: | 2-methylbenzoic acid |
Formula: | C8 H8 O2 |
Formal charge: | 0 |
Formula weight: | 136.148 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-methylbenzoic acid |
OpenEye OEToolkits | 1.7.6 | 2-methylbenzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1C |
InChI | InChI | 1.03 | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
InChIKey | InChI | 1.03 | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccccc1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1C(=O)O |