| CAS Number | 35615-98-6 |
| Catalog Number | AG00I72H(AGN-PC-03IHSD) |
| Chemical Name | methyl 4-methyl-1-naphthoate |
| IUPAC Name | methyl 4-methylnaphthalene-1-carboxylate |
| InChI | InChI=1S/C13H12O2/c1-9-7-8-12(13(14)15-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3 |
| InChI Key | LPLYJJXZWSVXHW-UHFFFAOYSA-N |
| MDL Number | MFCD06203861 |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.2332 |
| SMILES | COC(C1=C2C(C=CC=C2)=C(C)C=C1)=O |
| Synonyms | METHYL 4-METHYL-1-NAPHTHOATE,
35615-98-6,
Methyl 4-methylnaphthalene-1-carboxylate,
SCHEMBL870574,
DTXSID70620991,
LPLYJJXZWSVXHW-UHFFFAOYSA-N,
ZINC44199669,
AKOS000114326,
1-methyl-4-naphthoic acid methyl ester,
Methyl 1-methylnaphthalene-4-carboxylate,
methyl 4-methyl-1-naphthalenecarboxylate,
SC-66398,
Methyl 4-methyl-1-naphthalene Carboxylate,
FT-0710089,
4-Methylnaphthalene-1-carboxylic acid methyl ester,
4-Methyl-naphthalene-1-carboxylic acid methyl ester,
1-Naphthalenecarboxylic acid, 4-methyl-, methyl ester,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number