| CAS Number | 1353224-63-1 |
| Catalog Number | AG009X7A(AGN-PC-0WNRGO) |
| Chemical Name | 3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one |
| IUPAC Name | 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one |
| InChI | InChI=1S/C23H19NO4/c25-19-13-15(8-10-18(19)24-11-3-4-12-24)22-21(27)20(26)17-9-7-14-5-1-2-6-16(14)23(17)28-22/h1-2,5-10,13,25,27H,3-4,11-12H2 |
| InChI Key | FKXZGHWYWGMSSQ-UHFFFAOYSA-N |
| MDL Number | MFCD22192466 |
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.4013 |
| SMILES | Oc1cc(ccc1N1CCCC1)c1oc2c(c(=O)c1O)ccc1c2cccc1 |
| Synonyms | 3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one,
1353224-63-1,
CHEMBL1951841,
SCHEMBL14697040,
MFCD22192466,
ZINC169620019,
Z9910,
C23H19NO4,
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| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.408g/mol |
| Monoisotopic Mass | 373.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number