| CAS Number | 1341038-04-7 |
| Catalog Number | AG00HT76(AGN-PC-0WG3U3) |
| Chemical Name | 5-Hydroxy-3-methoxy-2-naphthoic acid |
| IUPAC Name | 5-hydroxy-3-methoxynaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C12H10O4/c1-16-11-6-8-7(3-2-4-10(8)13)5-9(11)12(14)15/h2-6,13H,1H3,(H,14,15) |
| InChI Key | IAMRUWYVOYSJON-UHFFFAOYSA-N |
| MDL Number | MFCD21362317 |
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.2054 |
| SMILES | COc1cc2c(O)cccc2cc1C(O)=O |
| Synonyms | 1341038-04-7,
5-Hydroxy-3-methoxy-2-naphthoic acid,
5-Hydroxy-3-methoxy-naphthalene-2-carboxylic acid,
5-hydroxy-3-methoxynaphthalene-2-carboxylic acid,
SCHEMBL8206713,
IAMRUWYVOYSJON-UHFFFAOYSA-N,
MFCD21362317,
ZINC142180461,
CS-0037365,
A1-11974,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.208g/mol |
| Monoisotopic Mass | 218.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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