| CAS Number | 70335-57-8 |
| Catalog Number | AG01APZ3(AGN-PC-0WCO8S) |
| Chemical Name | 6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid |
| IUPAC Name | 6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C12H12O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h3-5,7H,2,6H2,1H3,(H,13,14) |
| InChI Key | MSHBWRSHOIMMSG-UHFFFAOYSA-N |
| MDL Number | MFCD24482359 |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.2219 |
| SMILES | COC1=CC2=C(CC(C(O)=O)=CC2)C=C1 |
| Synonyms | 6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid,
70335-57-8,
ZINC75604239,
AKOS022647840,
F2167-1310,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.225g/mol |
| Monoisotopic Mass | 204.079g/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