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1135-31-5 | Pyridazine, 3-(2-phenylethenyl)-
CAS No: 1135-31-5 Catalog No: AG0008SE MDL No:
Product Description
Catalog Number:
AG0008SE
Chemical Name:
Pyridazine, 3-(2-phenylethenyl)-
CAS Number:
1135-31-5
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
3-[(E)-2-phenylethenyl]pyridazine
InChI:
InChI=1S/C12H10N2/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-14-12/h1-10H/b9-8+
InChI Key:
CNYDPKJPMBRDPE-CMDGGOBGSA-N
SMILES:
c1ccc(cc1)C=Cc1cccnn1
NSC Number:
69019
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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