| CAS Number | 149505-88-4 |
| Catalog Number | AG00AMKO(AGN-PC-0NHMXO) |
| Chemical Name | Methyl 6-carbamoylnaphthalene-2-carboxylate |
| IUPAC Name | methyl 6-carbamoylnaphthalene-2-carboxylate |
| InChI | InChI=1S/C13H11NO3/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h2-7H,1H3,(H2,14,15) |
| InChI Key | FRSDNJDYURVPCW-UHFFFAOYSA-N |
| MDL Number | MFCD09953151 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COC(=O)C1=CC=C2C=C(C=CC2=C1)C(N)=O |
| Synonyms | Methyl 6-carbamoylnaphthalene-2-carboxylate,
149505-88-4,
Methyl 6-carbamoyl-2-naphthoate,
SCHEMBL5560862,
FRSDNJDYURVPCW-UHFFFAOYSA-N,
MFCD09953151,
ZINC38843097,
AS-30314,
6-carbamoyl-naphthalene-2-carboxylic acid methyl ester,
6-(Aminocarbonyl)-2-naphthalenecarboxylic acid, methyl ester,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number