| CAS Number | 1353224-61-9 |
| Catalog Number | AG009WSH(AGN-PC-0WA8OL) |
| Chemical Name | 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one |
| IUPAC Name | 3-hydroxy-2-(3-methoxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one |
| InChI | InChI=1S/C24H21NO4/c1-28-20-14-16(9-11-19(20)25-12-4-5-13-25)23-22(27)21(26)18-10-8-15-6-2-3-7-17(15)24(18)29-23/h2-3,6-11,14,27H,4-5,12-13H2,1H3 |
| InChI Key | ZJYFLTGQGIZYOU-UHFFFAOYSA-N |
| MDL Number | MFCD22689094 |
| Molecular Formula | C24H21NO4 |
| Molecular Weight | 387.4278 |
| SMILES | COc1cc(ccc1N1CCCC1)c1oc2c(c(=O)c1O)ccc1c2cccc1 |
| Synonyms | 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one,
1353224-61-9,
SCHEMBL14697050,
AKOS026672819,
ZINC100204971,
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| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.435g/mol |
| Monoisotopic Mass | 387.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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