CRS
Summary
Name: | M-CRESOL |
Formula: | C7 H8 O |
Formal charge: | 0 |
Formula weight: | 108.138 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-methylphenol |
OpenEye OEToolkits | 1.5.0 | 3-methylphenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1cc(ccc1)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(O)c1 |
SMILES | CACTVS | 3.341 | Cc1cccc(O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)O |
InChI | InChI | 1.03 | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
InChIKey | InChI | 1.03 | RLSSMJSEOOYNOY-UHFFFAOYSA-N |