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1243328-63-3 | 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-hydroxyphenyl)-2-phenyl-
CAS No: 1243328-63-3 Catalog No: AG000LUW MDL No:
Product Description
Catalog Number:
AG000LUW
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-hydroxyphenyl)-2-phenyl-
CAS Number:
1243328-63-3
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
5-(4-hydroxyphenyl)-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C15H12N2O2/c18-13-8-6-11(7-9-13)14-10-15(19)17(16-14)12-4-2-1-3-5-12/h1-9,18H,10H2
InChI Key:
OCCAWBSATJWYMQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NN(C(=O)C1)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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