| CAS Number | 4386-42-9 |
| Catalog Number | AG00DBEN(AGN-PC-0JO1AQ) |
| Chemical Name | 2-Hydroxy-3-methoxy-5-methylbenzoic acid |
| IUPAC Name | 2-hydroxy-3-methoxy-5-methylbenzoic acid |
| InChI | InChI=1S/C9H10O4/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4,10H,1-2H3,(H,11,12) |
| InChI Key | WSPPAIWUMWEZIT-UHFFFAOYSA-N |
| MDL Number | MFCD11203629 |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.1733 |
| NSC Number | 109122 |
| SMILES | COC1=C(O)C(C(O)=O)=CC(C)=C1 |
| Synonyms | 2-hydroxy-3-methoxy-5-methylbenzoic acid,
4386-42-9,
NSC109122,
AC1L6KWU,
AC1Q5TNH,
SCHEMBL14363157,
CTK4I7841,
DTXSID40296400,
AC1Q4679,
ZINC1701224,
AKOS008119598,
MCULE-8223138825,
NE34252,
NSC-109122,
AJ-30497,
EN300-71665,
Z1259273341,
AR-1E2358,
CID268739,
4487-37-0,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.175g/mol |
| Monoisotopic Mass | 182.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number