| CAS Number | 1340289-37-3 |
| Catalog Number | AG01B1RD(AGN-PC-0WOUIT) |
| Chemical Name | 4-(4-methyl-1H-pyrazol-1-yl)phenol |
| IUPAC Name | 4-(4-methylpyrazol-1-yl)phenol |
| InChI | InChI=1S/C10H10N2O/c1-8-6-11-12(7-8)9-2-4-10(13)5-3-9/h2-7,13H,1H3 |
| InChI Key | BTTLSFUSQWHJIH-UHFFFAOYSA-N |
| MDL Number | MFCD20326194 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CC1=CN(C2=CC=C(O)C=C2)N=C1 |
| Synonyms | 4-(4-methyl-1H-pyrazol-1-yl)phenol,
1340289-37-3,
SCHEMBL12988820,
BTTLSFUSQWHJIH-UHFFFAOYSA-N,
ZINC70675373,
AKOS013758845,
MCULE-2906918846,
NE44376,
DA-22500,
FT-0770294,
Z1815155523,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079313g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.2g/mol |
| Monoisotopic Mass | 174.079313g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number