| CAS Number | 131236-68-5 |
| Catalog Number | AG00HSE9(AGN-PC-0WQVNQ) |
| Chemical Name | methyl 5-hydroxy-4-methoxy-2-methylbenzoate |
| IUPAC Name | methyl 5-hydroxy-4-methoxy-2-methylbenzoate |
| InChI | InChI=1S/C10H12O4/c1-6-4-9(13-2)8(11)5-7(6)10(12)14-3/h4-5,11H,1-3H3 |
| InChI Key | GRSYQFHQUSXDMT-UHFFFAOYSA-N |
| MDL Number | MFCD24718340 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | COC(=O)c1cc(O)c(OC)cc1C |
| Synonyms | methyl 5-hydroxy-4-methoxy-2-methylbenzoate,
131236-68-5,
SCHEMBL13468054,
MFCD24718340,
ZINC196388945,
CS-0037292,
4-Methoxy-2-methyl-5-hydroxybenzoic 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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