| CAS Number | 13041-63-9 |
| Catalog Number | AG000UEJ(AGN-PC-03LEYF) |
| Chemical Name | 1-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester |
| IUPAC Name | methyl 4-hydroxynaphthalene-1-carboxylate |
| InChI | InChI=1S/C12H10O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3 |
| InChI Key | IVAXJJJTBDVHEA-UHFFFAOYSA-N |
| MDL Number | MFCD06203860 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | COC(=O)c1ccc(c2c1cccc2)O |
| Synonyms | Methyl 4-hydroxy-1-naphthoate,
13041-63-9,
4-Hydroxy-naphthalene-1-carboxylic acid methyl ester,
1-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester,
methyl 4-hydroxynaphthoate,
METHYL 4-HYDROXYNAPHTHALENE-1-CARBOXYLATE,
SCHEMBL2174563,
CTK4B6706,
Methyl 4-naphthol-1-carboxylate,
DTXSID00623192,
IVAXJJJTBDVHEA-UHFFFAOYSA-N,
MFCD06203860,
ZINC21984020,
AJ-79201,
CS-0060739,
H57146,
1-Naphthalenecarboxylicacid, 4-hydroxy-, 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 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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