| CAS Number | 88611-48-7 |
| Catalog Number | AG01BA33(AGN-PC-00TPRH) |
| Chemical Name | 1-(1,2,3,4-Tetrahydroquinolin-1-yl)prop-2-en-1-one |
| IUPAC Name | 1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one |
| InChI | InChI=1S/C12H13NO/c1-2-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,1,5,7,9H2 |
| InChI Key | JYOFGCWMMXFROS-UHFFFAOYSA-N |
| MDL Number | MFCD12091081 |
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.2377 |
| SMILES | C=CC(N1C2=C(C=CC=C2)CCC1)=O |
| Synonyms | 88611-48-7,
1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one,
2-Propen-1-one, 1-(3,4-dihydro-1(2H)-quinolinyl)-,
ZINC35092512,
AKOS009809275,
Z1937714284,
1-(1,2,3,4-Tetrahydroquinoline-1-yl)-2-propene-1-one,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.242g/mol |
| Monoisotopic Mass | 187.1g/mol |
| Rotatable Bond Count | 1 |
| 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