| CAS Number | 6021-31-4 |
| Catalog Number | AG00EL2H(AGN-PC-0WD3UJ) |
| Chemical Name | 4-Hydroxy-2,3-dimethylbenzoic acid |
| IUPAC Name | 4-hydroxy-2,3-dimethylbenzoic acid |
| InChI | InChI=1S/C9H10O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12) |
| InChI Key | NGBXMLOGRLGZII-UHFFFAOYSA-N |
| MDL Number | MFCD20640161 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | c1(c(ccc(c1C)C(=O)O)O)C |
| Synonyms | 4-Hydroxy-2,3-dimethylbenzoic acid,
6021-31-4,
4-hydroxy-2,3-dimethyl-Benzoic acid,
hydroxydimethylbenzoic acid,
SCHEMBL317575,
DTXSID10604371,
2,3-dimethyl-4-hydroxybenzoic acid,
RW2693,
ZINC59561059,
AKOS022173538,
FCH1219806,
AJ-113510,
AX8282056,
ACN-028983,
|
| Complexity | 179 |
| 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 | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number