| CAS Number | 1216007-29-2 |
| Catalog Number | AG01B7AO |
| Chemical Name | 4-(1-methyl-1H-pyrazol-4-yl)phenol |
| IUPAC Name | 4-(1-methylpyrazol-4-yl)phenol |
| InChI | InChI=1S/C10H10N2O/c1-12-7-9(6-11-12)8-2-4-10(13)5-3-8/h2-7,13H,1H3 |
| InChI Key | RRBHMAJENUAYKG-UHFFFAOYSA-N |
| MDL Number | MFCD11932704 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CN1N=CC(C2=CC=C(O)C=C2)=C1 |
| Synonyms | 4-(1-methyl-1H-pyrazol-4-yl)phenol,
1216007-29-2,
SCHEMBL16712024,
ZINC33428466,
AKOS017514964,
Z2618178294,
|
| Complexity | 166 |
| 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 | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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