| CAS Number | 1111113-77-9 |
| Catalog Number | AG00HC0G(AGN-PC-0WR58W) |
| Chemical Name | 5-(4-Hydroxyphenyl)-2-hydroxypyrimidine |
| IUPAC Name | 5-(4-hydroxyphenyl)-1H-pyrimidin-2-one |
| InChI | InChI=1S/C10H8N2O2/c13-9-3-1-7(2-4-9)8-5-11-10(14)12-6-8/h1-6,13H,(H,11,12,14) |
| InChI Key | WYENLWRZEQEGGD-UHFFFAOYSA-N |
| MDL Number | MFCD11876977 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | Oc1ccc(cc1)c1cnc(nc1)O |
| Synonyms | 1111113-77-9,
5-(4-HYDROXYPHENYL)-2-HYDROXYPYRIMIDINE,
5-(4-Hydroxyphenyl)pyrimidin-2-ol,
5-(4-Hydroxyphenyl)pyrimidin-2(1H)-one,
SCHEMBL14064100,
DTXSID00686782,
MFCD11876977,
ZINC65344502,
FCH1165250,
K-0842,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number