| CAS Number | 1020703-52-9 |
| Catalog Number | AG01BH7S(AGN-PC-0WOSVU) |
| Chemical Name | 2-(1-Phenyl-1H-pyrazol-4-yl)ethan-1-ol |
| IUPAC Name | 2-(1-phenylpyrazol-4-yl)ethanol |
| InChI | InChI=1S/C11H12N2O/c14-7-6-10-8-12-13(9-10)11-4-2-1-3-5-11/h1-5,8-9,14H,6-7H2 |
| InChI Key | OWHAQLFAIXBDNT-UHFFFAOYSA-N |
| MDL Number | MFCD07440132 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | OCCC1=CN(C2=CC=CC=C2)N=C1 |
| Synonyms | 2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol,
1020703-52-9,
SCHEMBL16867187,
ZINC39287016,
AKOS002666322,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number