| CAS Number | 113825-76-6 |
| Catalog Number | AG01A299(AGN-PC-0NYAS0) |
| Chemical Name | 7-phenoxy-1,2,3,4,9,10-hexahydroacridin-9-one |
| IUPAC Name | 7-phenoxy-2,3,4,10-tetrahydro-1H-acridin-9-one |
| InChI | InChI=1S/C19H17NO2/c21-19-15-8-4-5-9-17(15)20-18-11-10-14(12-16(18)19)22-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,20,21) |
| InChI Key | RXKPXDOWWLSZHO-UHFFFAOYSA-N |
| MDL Number | MFCD22566079 |
| Molecular Formula | C19H17NO2 |
| Molecular Weight | 291.3438 |
| SMILES | O=C1C2=C(C=CC(=C2)OC2=CC=CC=C2)NC2=C1CCCC2 |
| Synonyms | 7-phenoxy-1,2,3,4,9,10-hexahydroacridin-9-one,
113825-76-6,
ZINC82164688,
AKOS033380170,
MCULE-7005968513,
NE37687,
Z1497158692,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.35g/mol |
| Monoisotopic Mass | 291.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number