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1162-74-9 | 5,8-Methano-1H-pyrazolo[1,2-a]pyridazin-1-one, 5,8-dihydro-2,3-diphenyl-
CAS No: 1162-74-9 Catalog No: AG000BVX MDL No:
Product Description
Catalog Number:
AG000BVX
Chemical Name:
5,8-Methano-1H-pyrazolo[1,2-a]pyridazin-1-one, 5,8-dihydro-2,3-diphenyl-
CAS Number:
1162-74-9
Molecular Formula:
C20H16N2O
Molecular Weight:
300.3538
IUPAC Name:
4,5-diphenyl-2,6-diazatricyclo[5.2.1.02,6]deca-4,8-dien-3-one
InChI:
InChI=1S/C20H16N2O/c23-20-18(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)21-16-11-12-17(13-16)22(20)21/h1-12,16-17H,13H2
InChI Key:
GVDVVXAXTWQZFM-UHFFFAOYSA-N
SMILES:
O=c1n2C3C=CC(n2c(c1c1ccccc1)c1ccccc1)C3
NSC Number:
109895
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.361g/mol
Monoisotopic Mass:
300.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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