| CAS Number | 51934-45-3 |
| Catalog Number | AG00DLP2(AGN-PC-02VD58) |
| Chemical Name | Ethyl 4-methyl-1-naphthoate |
| IUPAC Name | ethyl 4-methylnaphthalene-1-carboxylate |
| InChI | InChI=1S/C14H14O2/c1-3-16-14(15)13-9-8-10(2)11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3 |
| InChI Key | QZCQWXSXNQPZKQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204668 |
| Molecular Formula | C14H14O2 |
| Molecular Weight | 214.2598 |
| SMILES | C1(=CC=C(C)C2=CC=CC=C12)C(OCC)=O |
| Synonyms | Ethyl 4-methyl-1-naphthoate,
51934-45-3,
SCHEMBL11273803,
ZINC43503620,
AKOS000114327,
Ethyl 1-methylnaphthalene-4-carboxylate,
SC-88254,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.264g/mol |
| Monoisotopic Mass | 214.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number