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834898-70-3 | 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(3-phenylpropylidene)-
CAS No: 834898-70-3 Catalog No: AG0050N3 MDL No:
Product Description
Catalog Number:
AG0050N3
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(3-phenylpropylidene)-
CAS Number:
834898-70-3
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
3-phenyl-4-(3-phenylpropylidene)-1H-pyrazol-5-one
InChI:
InChI=1S/C18H16N2O/c21-18-16(13-7-10-14-8-3-1-4-9-14)17(19-20-18)15-11-5-2-6-12-15/h1-6,8-9,11-13H,7,10H2,(H,20,21)
InChI Key:
NNBIUTQZCCTKDY-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1=CCCc1ccccc1)c1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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