| CAS Number | 262855-94-7 |
| Catalog Number | AG01BDXF |
| Chemical Name | 3-(Hydroxymethyl)-4-methylbenzoic acid |
| IUPAC Name | 3-(hydroxymethyl)-4-methylbenzoic acid |
| InChI | InChI=1S/C9H10O3/c1-6-2-3-7(9(11)12)4-8(6)5-10/h2-4,10H,5H2,1H3,(H,11,12) |
| InChI Key | XVBRPLXVCJSVAW-UHFFFAOYSA-N |
| MDL Number | MFCD20651810 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | CC1=C(CO)C=C(C(O)=O)C=C1 |
| Synonyms | 3-(hydroxymethyl)-4-methylbenzoic acid,
262855-94-7,
SCHEMBL11427122,
ZINC75844805,
AKOS023096581,
Z1945708088,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number