| CAS Number | 889443-20-3 |
| Catalog Number | AG00GXS2(AGN-PC-0WBN7O) |
| Chemical Name | 3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone |
| IUPAC Name | 7-(4-hydroxybutoxy)-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C13H17NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,9,15H,1-2,4,6-8H2,(H,14,16) |
| InChI Key | KRICLZOCASGBRD-UHFFFAOYSA-N |
| MDL Number | MFCD23110909 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | C1CC(=O)NC2=C1C=CC(=C2)OCCCCO |
| Synonyms | 889443-20-3,
3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone,
7-(4-Hydroxybutoxy)-3,4-dihydroquinolin-2(1H)-one,
7-(4-HYDROXYBUTOXY)-3,4-DIHYDRO-1H-QUINOLIN-2-ONE,
SCHEMBL18825568,
DTXSID90747654,
ZINC77291808,
AKOS030631865,
BC600292,
FT-0667049,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number