| CAS Number | 1353224-65-3 |
| Catalog Number | AG009X7B(AGN-PC-0WNRGP) |
| Chemical Name | 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one |
| IUPAC Name | 3-hydroxy-2-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6,7-dimethylchromen-4-one |
| InChI | InChI=1S/C22H23NO4/c1-13-10-16-18(11-14(13)2)27-22(21(25)20(16)24)15-6-7-17(19(12-15)26-3)23-8-4-5-9-23/h6-7,10-12,25H,4-5,8-9H2,1-3H3 |
| InChI Key | LVXNKRXCCUGTKC-UHFFFAOYSA-N |
| MDL Number | MFCD22421501 |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.4223 |
| SMILES | COc1cc(ccc1N1CCCC1)c1oc2cc(C)c(cc2c(=O)c1O)C |
| Synonyms | 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one,
1353224-65-3,
AKOS024438492,
ZINC100092676,
Z9911,
C22H23NO4,
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| Complexity | 597 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.429g/mol |
| Monoisotopic Mass | 365.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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