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834898-68-9 | 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(2-phenylethylidene)-
CAS No: 834898-68-9 Catalog No: AG0050N4 MDL No:
Product Description
Catalog Number:
AG0050N4
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(2-phenylethylidene)-
CAS Number:
834898-68-9
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
IUPAC Name:
3-phenyl-4-(2-phenylethylidene)-1H-pyrazol-5-one
InChI:
InChI=1S/C17H14N2O/c20-17-15(12-11-13-7-3-1-4-8-13)16(18-19-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,19,20)
InChI Key:
VLZZIGYYTYXSGV-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1=CCc1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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