4OJ
Summary
Name: | (2-methylphenyl) dihydrogen phosphate |
Synonyms: | o-cresyl-phosphate |
Formula: | C7 H9 O4 P |
Formal charge: | 0 |
Formula weight: | 188.118 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-methylphenyl dihydrogen phosphate |
OpenEye OEToolkits | 1.9.2 | (2-methylphenyl) dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(Oc1ccccc1C)O |
InChI | InChI | 1.03 | InChI=1S/C7H9O4P/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10) |
InChIKey | InChI | 1.03 | HUJOGFUFUMBXPL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1O[P](O)(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccccc1O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1OP(=O)(O)O |