| CAS Number | 34205-71-5 |
| Catalog Number | AG00C6D5(AGN-PC-0WALMZ) |
| Chemical Name | 2-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester |
| IUPAC Name | methyl 4-hydroxynaphthalene-2-carboxylate |
| InChI | InChI=1S/C12H10O3/c1-15-12(14)9-6-8-4-2-3-5-10(8)11(13)7-9/h2-7,13H,1H3 |
| InChI Key | UHBWWQMCPGCLPP-UHFFFAOYSA-N |
| MDL Number | MFCD12405015 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | COC(=O)c1cc(O)c2c(c1)cccc2 |
| Synonyms | methyl 4-hydroxy-2-naphthoate,
34205-71-5,
2-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester,
2-Naphthalenecarboxylic acid,4-hydroxy-,methyl ester,
methyl 4-hydroxynaphthalene-2-carboxylate,
3-methoxycarbonyl-1-naphthol,
SCHEMBL161776,
Methyl 4-naphthol-2-carboxylate,
CS-B0396,
MFCD12405015,
ZINC39390774,
AKOS022647008,
CS-14059,
4-Hydroxynaphthalene-2-carboxylic acid methyl ester,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number