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87563-68-6 | 3(2H)-Pyridazinone, 6-(2-phenylethenyl)-
CAS No: 87563-68-6 Catalog No: AG004MED MDL No:
Product Description
Catalog Number:
AG004MED
Chemical Name:
3(2H)-Pyridazinone, 6-(2-phenylethenyl)-
CAS Number:
87563-68-6
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-(2-phenylethenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H10N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChI Key:
KQZVCMCKJNRGRG-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)C=Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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