| CAS Number | 5043-07-2 |
| Catalog Number | AG01ALVO(AGN-PC-03MPIE) |
| Chemical Name | 7-methoxynaphthalene-2-carboxylic acid |
| IUPAC Name | 7-methoxynaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C12H10O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h2-7H,1H3,(H,13,14) |
| InChI Key | JJAGLIPYTVMFTL-UHFFFAOYSA-N |
| MDL Number | MFCD18412886 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | COC1=CC=C2C=CC(=CC2=C1)C(=O)O |
| Synonyms | 7-methoxy-2-naphthoic acid,
5043-07-2,
7-Methoxynaphthalene-2-carboxylic acid,
2-Naphthalenecarboxylic acid, 7-methoxy-,
SCHEMBL1145072,
CTK1G6708,
DTXSID80623771,
JJAGLIPYTVMFTL-UHFFFAOYSA-N,
ZINC13548078,
AKOS023799650,
FT-0741277,
F2135-1190,
Z2211231435,
|
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number