| CAS Number | 1233082-79-5 |
| Catalog Number | AG009CGT |
| Chemical Name | Ampkinone |
| IUPAC Name | 2-(4-benzoylphenyl)-6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione |
| InChI | InChI=1S/C31H23NO6/c1-31(2)25-20(21-15-16-23(37-3)27(34)28(21)38-31)13-14-22-24(25)30(36)32(29(22)35)19-11-9-18(10-12-19)26(33)17-7-5-4-6-8-17/h4-16,34H,1-3H3 |
| InChI Key | BRRCHDIWBKOMEC-UHFFFAOYSA-N |
| MDL Number | MFCD28143482 |
| Molecular Formula | C31H23NO6 |
| Molecular Weight | 505.5174 |
| SMILES | O=C1N(C2=CC=C(C(C3=CC=CC=C3)=O)C=C2)C(C4=C1C=CC5=C4C(C)(C)OC6=C(O)C(OC)=CC=C65)=O |
| Synonyms | ampkinone,
AMPKINONE,
1233082-79-5,
CHEMBL1271027,
ZINC64528424,
AKOS030260389,
CS-4215,
HY-12831,
2-(4-benzoylphenyl)-6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione,
|
| Complexity | 935 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 505.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 505.526g/mol |
| Monoisotopic Mass | 505.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
Lot Number