| CAS Number | 904315-14-6 |
| Catalog Number | AG00GXRL(AGN-PC-0WO1V2) |
| Chemical Name | 3-(1H-pyrazol-1-yl)phenol |
| IUPAC Name | 3-pyrazol-1-ylphenol |
| InChI | InChI=1S/C9H8N2O/c12-9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7,12H |
| InChI Key | QOOFOEXDLXLCEP-UHFFFAOYSA-N |
| MDL Number | MFCD19686219 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | OC1=CC(N2N=CC=C2)=CC=C1 |
| Synonyms | 3-(1H-pyrazol-1-yl)phenol,
904315-14-6,
SCHEMBL18289088,
ZINC68590116,
AKOS013259648,
MCULE-7282585175,
EN300-75586,
C-0215,
|
| Complexity | 152 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number