Home Other Building Blocks 4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol

4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol

CAS No.:
51011-27-9
Catalog Number:
AG01C3B7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
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Product Description
Catalog Number:
AG01C3B7
Chemical Name:
4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol
CAS Number:
51011-27-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD20326187
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
SMILES:
Oc1ccc(cc1)n1nc(cc1C)C
Properties
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  
Properties