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82366-05-0 | 1H-Pyrazol-5-ol, 1-benzoyl-4,5-dihydro-3-methyl-5-phenyl-
CAS No: 82366-05-0 Catalog No: AG005DNI MDL No:
Product Description
Catalog Number:
AG005DNI
Chemical Name:
1H-Pyrazol-5-ol, 1-benzoyl-4,5-dihydro-3-methyl-5-phenyl-
CAS Number:
82366-05-0
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-phenylmethanone
InChI:
InChI=1S/C17H16N2O2/c1-13-12-17(21,15-10-6-3-7-11-15)19(18-13)16(20)14-8-4-2-5-9-14/h2-11,21H,12H2,1H3
InChI Key:
ZODMXWOSJMKILD-UHFFFAOYSA-N
SMILES:
CC1=NN(C(C1)(O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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