| CAS Number | 1394969-04-0 |
| Catalog Number | AG00HVMI(AGN-PC-0WR8GG) |
| Chemical Name | 1-(Oxan-2-yl)-1H-pyrazol-4-ol |
| IUPAC Name | 1-(oxan-2-yl)pyrazol-4-ol |
| InChI | InChI=1S/C8H12N2O2/c11-7-5-9-10(6-7)8-3-1-2-4-12-8/h5-6,8,11H,1-4H2 |
| InChI Key | ABKOWXIYQYXRMS-UHFFFAOYSA-N |
| MDL Number | MFCD23111248 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | O1C(CCCC1)N1N=CC(=C1)O |
| Synonyms | 1-(Oxan-2-yl)-1H-pyrazol-4-ol,
1394969-04-0,
SCHEMBL17714250,
A1-08635,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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