| CAS Number | 191980-64-0 |
| Catalog Number | AG01B9UN(AGN-PC-0NGBJK) |
| Chemical Name | 4-(1h-Pyrazol-4-yl)phenol |
| IUPAC Name | 4-(1H-pyrazol-4-yl)phenol |
| InChI | InChI=1S/C9H8N2O/c12-9-3-1-7(2-4-9)8-5-10-11-6-8/h1-6,12H,(H,10,11) |
| InChI Key | PKRONVFNRZHWSM-UHFFFAOYSA-N |
| MDL Number | MFCD11932601 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | OC1=CC=C(C2=CNN=C2)C=C1 |
| Synonyms | 4-(1H-pyrazol-4-yl)phenol,
191980-64-0,
SCHEMBL1188308,
4-(4-Hydroxyphenyl)-1H-pyrazole,
Phenol, 4-(1H-pyrazol-4-yl)-,
ZINC33428256,
AKOS016371808,
FT-0740553,
Z2065464284,
CID11126554,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number