| CAS Number | 1206970-50-4 |
| Catalog Number | AG00HFO2(AGN-PC-0WR0HB) |
| Chemical Name | 4-(1-methyl-1H-pyrazol-5-yl)phenol |
| IUPAC Name | 4-(2-methylpyrazol-3-yl)phenol |
| InChI | InChI=1S/C10H10N2O/c1-12-10(6-7-11-12)8-2-4-9(13)5-3-8/h2-7,13H,1H3 |
| InChI Key | PCRBPOLMFGKTFE-UHFFFAOYSA-N |
| MDL Number | MFCD14585242 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | Oc1ccc(cc1)c1ccnn1C |
| Synonyms | 4-(1-methyl-1H-pyrazol-5-yl)phenol,
1206970-50-4,
SCHEMBL14938176,
PCRBPOLMFGKTFE-UHFFFAOYSA-N,
ZINC40449750,
AKOS017516176,
BP-11563,
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| 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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Certificate of Analysis
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