| CAS Number | 926234-29-9 |
| Catalog Number | AG019ZET |
| Chemical Name | 3-(2-Methylpropanamido)naphthalene-2-carboxylic acid |
| IUPAC Name | 3-(2-methylpropanoylamino)naphthalene-2-carboxylic acid |
| InChI | InChI=1S/C15H15NO3/c1-9(2)14(17)16-13-8-11-6-4-3-5-10(11)7-12(13)15(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19) |
| InChI Key | XYWAUUIQQPTWSQ-UHFFFAOYSA-N |
| MDL Number | MFCD09044674 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.2845 |
| SMILES | CC(C(NC1=C(C(O)=O)C=C2C(C=CC=C2)=C1)=O)C |
| Synonyms | 3-(2-methylpropanamido)naphthalene-2-carboxylic acid,
926234-29-9,
CTK7F3925,
ZINC13171330,
AKOS000128521,
MCULE-2647013501,
NE23109,
3-(ISOBUTYRYLAMINO)-2-NAPHTHOIC ACID,
Z85894484,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.289g/mol |
| Monoisotopic Mass | 257.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number