| CAS Number | 51011-27-9 |
| Catalog Number | AG01C3B7 |
| Chemical Name | 4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol |
| IUPAC Name | 4-(3,5-dimethylpyrazol-1-yl)phenol |
| InChI | InChI=1S/C11H12N2O/c1-8-7-9(2)13(12-8)10-3-5-11(14)6-4-10/h3-7,14H,1-2H3 |
| InChI Key | JZZQDUBNKXYQED-UHFFFAOYSA-N |
| MDL Number | MFCD20326187 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC1=NN(C2=CC=C(O)C=C2)C(C)=C1 |
| Synonyms | 4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol,
51011-27-9,
4-(3,5-dimethyl-pyrazol-1-yl)-phenol,
SCHEMBL597831,
JZZQDUBNKXYQED-UHFFFAOYSA-N,
ZINC39373515,
AKOS013758411,
FT-0755490,
Z2350906824,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number