| CAS Number | 7189-08-4 |
| Catalog Number | AG01A8U4(AGN-PC-0838BG) |
| Chemical Name | (1-Phenyl-1H-pyrazol-3-yl)methanol |
| IUPAC Name | (1-phenylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C10H10N2O/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10/h1-7,13H,8H2 |
| InChI Key | LOPWSQUDSPCZMD-UHFFFAOYSA-N |
| MDL Number | MFCD16613812 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | OCC1=NN(C2=CC=CC=C2)C=C1 |
| Synonyms | (1-phenyl-1H-pyrazol-3-yl)methanol,
7189-08-4,
(1-phenyl-1H-pyrazol-3-yl)-methanol,
SCHEMBL15603518,
1h-pyrazole-3-methanol,1-phenyl-,
ZINC48368613,
AKOS011294948,
MCULE-3182060616,
NE27790,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number