| CAS Number | 1414079-57-4 |
| Catalog Number | AG009X71(AGN-PC-0WNXAY) |
| Chemical Name | (2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one |
| IUPAC Name | (E)-1-(1-hydroxynaphthalen-2-yl)-3-(3-hydroxy-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C23H21NO3/c25-21(19-10-9-17-5-1-2-6-18(17)23(19)27)12-8-16-7-11-20(22(26)15-16)24-13-3-4-14-24/h1-2,5-12,15,26-27H,3-4,13-14H2/b12-8+ |
| InChI Key | AMGNYAWNIOBMGU-XYOKQWHBSA-N |
| MDL Number | MFCD22574942 |
| Molecular Formula | C23H21NO3 |
| Molecular Weight | 359.4177 |
| SMILES | Oc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1 |
| Synonyms | (2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one,
1414079-57-4,
SCHEMBL14698564,
SCHEMBL14698565,
ZINC95217939,
V3104,
C23H21NO3,
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| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 359.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.425g/mol |
| Monoisotopic Mass | 359.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
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Certificate of Analysis
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