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Home > Pyridines > 131226-04-5
131226-04-5 | 1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-
CAS No: 131226-04-5 Catalog No: AG000VRI MDL No:
Product Description
Catalog Number:
AG000VRI
Chemical Name:
1H-Pyrazolo[1,2-a]pyridazin-1-one, 5,6,7,8-tetrahydro-3-phenyl-
CAS Number:
131226-04-5
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
1-phenyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
InChI:
InChI=1S/C13H14N2O/c16-13-10-12(11-6-2-1-3-7-11)14-8-4-5-9-15(13)14/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
UHAVLYZSKJJZKQ-UHFFFAOYSA-N
SMILES:
O=c1cc(n2n1CCCC2)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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