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77458-34-5 | 1H-Pyrazol-4-ol, 1-(4-methylphenyl)-
CAS No: 77458-34-5 Catalog No: AG0053DT MDL No:
Product Description
Catalog Number:
AG0053DT
Chemical Name:
1H-Pyrazol-4-ol, 1-(4-methylphenyl)-
CAS Number:
77458-34-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-(4-methylphenyl)pyrazol-4-ol
InChI:
InChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-7-10(13)6-11-12/h2-7,13H,1H3
InChI Key:
YCNITVORPRPROS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1)O
Properties
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:
1.9
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