| CAS Number | 1341035-71-9 |
| Catalog Number | AG00HT6J(AGN-PC-0WG3V0) |
| Chemical Name | Methyl 5-hydroxy-3-methoxy-2-naphthoate |
| IUPAC Name | methyl 5-hydroxy-3-methoxynaphthalene-2-carboxylate |
| InChI | InChI=1S/C13H12O4/c1-16-12-7-9-8(4-3-5-11(9)14)6-10(12)13(15)17-2/h3-7,14H,1-2H3 |
| InChI Key | PYPSUZIVIHCEDR-UHFFFAOYSA-N |
| MDL Number | MFCD21362322 |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.2320 |
| SMILES | COC(=O)c1cc2cccc(c2cc1OC)O |
| Synonyms | 1341035-71-9,
Methyl 5-hydroxy-3-methoxy-2-naphthoate,
5-Hydroxy-3-methoxy-naphthalene-2-carboxylic acid methyl ester,
methyl 5-hydroxy-3-methoxynaphthalene-2-carboxylate,
SCHEMBL17137307,
MFCD21362322,
ZINC261508135,
CS-0037366,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.235g/mol |
| Monoisotopic Mass | 232.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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