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23227-98-7 | 3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-4-phenyl-
CAS No: 23227-98-7 Catalog No: AG002MKR MDL No:
Product Description
Catalog Number:
AG002MKR
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-4-phenyl-
CAS Number:
23227-98-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3-methyl-5-phenyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H12N2O/c1-8-7-10(11(14)13-12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChI Key:
MCMGELWGDOVGDH-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CC1c1ccccc1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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