| CAS Number | 3465-63-2 |
| Catalog Number | AG00CYFG(AGN-PC-044P62) |
| Chemical Name | Methyl 4-hydroxy-2-methoxy-6-methylbenzoate |
| IUPAC Name | methyl 4-hydroxy-2-methoxy-6-methylbenzoate |
| InChI | InChI=1S/C10H12O4/c1-6-4-7(11)5-8(13-2)9(6)10(12)14-3/h4-5,11H,1-3H3 |
| InChI Key | ZGYSDRFXXJOWGZ-UHFFFAOYSA-N |
| MDL Number | MFCD24713472 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | COC(=O)c1c(C)cc(cc1OC)O |
| Synonyms | Methyl 4-hydroxy-2-methoxy-6-methylbenzoate,
3465-63-2,
CTK1B7544,
Benzoic acid, 4-hydroxy-2-methoxy-6-methyl-, methyl ester,
DTXSID70634755,
4-Hydroxy-2-methoxy-6-methylbenzoic acid methyl ester,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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