| CAS Number | 18065-78-6 |
| Catalog Number | AG01DYZT(AGN-PC-0JPFJI) |
| Chemical Name | 1-(2-phenylethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-(2-phenylethyl)pyridin-2-one |
| InChI | InChI=1S/C13H13NO/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2 |
| InChI Key | BVHQLHNISFFNNO-UHFFFAOYSA-N |
| MDL Number | MFCD00598746 |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.2484 |
| NSC Number | 167484 |
| SMILES | O=C1N(CCC2=CC=CC=C2)C=CC=C1 |
| Synonyms | NSC167484,
18065-78-6,
1-(2-phenylethyl)-1,2-dihydropyridin-2-one,
AC1L6QUS,
1-phenethylpyridin-2-one,
SCHEMBL17457918,
DTXSID90304822,
ZINC1664388,
AKOS033373064,
NSC-167484,
1-(2-phenylethyl)pyridin-2-one,
CID296919,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.253g/mol |
| Monoisotopic Mass | 199.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number