| CAS Number | 73721-17-2 |
| Catalog Number | AG00ICFR(AGN-PC-00MSA3) |
| Chemical Name | Methyl 1-methyl-2-naphthoate |
| IUPAC Name | methyl 1-methylnaphthalene-2-carboxylate |
| InChI | InChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3 |
| InChI Key | RJCOLHYGLMOBPX-UHFFFAOYSA-N |
| MDL Number | MFCD18415058 |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.2332 |
| SMILES | O=C(OC)C1=CC=C2C=CC=CC2=C1C |
| Synonyms | Methyl 1-methyl-2-naphthoate,
73721-17-2,
methyl 1-methylnaphthalene-2-carboxylate,
SCHEMBL246068,
AKOS027323075,
ZINC113381326,
AS-43054,
1-Methylnaphthalene-2-carboxylic acid methyl ester,
2-Naphthalenecarboxylic acid, 1-methyl-, methyl ester,
Z2582143715,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.237g/mol |
| Monoisotopic Mass | 200.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number