| CAS Number | 1629908-92-4 |
| Catalog Number | AG00ATEZ(AGN-PC-0WOBAZ) |
| Chemical Name | NSC 756093 |
| IUPAC Name | 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one |
| InChI | InChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3 |
| InChI Key | SMEJQLRLHKWIFV-UHFFFAOYSA-N |
| MDL Number | MFCD28902215 |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.3692 |
| SMILES | O=C1OCC2=C1C(C3=CC=C(C=C3N2CCO)OC)C4=CC=CC=C4 |
| Synonyms | 1629908-92-4,
NSC 756093,
NSC756093,
CHEMBL3338370,
SCHEMBL19639513,
AOB6494,
NSC-756093,
AS-16954,
NSC756093, >=98% (HPLC),
4-(2-hydroxyethyl)-6-methoxy-9-phenyl-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one,
SMEJQLRLHKWIFV-UHFFFAOYSA-N,
|
| Complexity | 540 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.375g/mol |
| Monoisotopic Mass | 337.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number