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Home > Pyridines > 337923-00-9
337923-00-9 | 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 337923-00-9 Catalog No: AG00IRSU MDL No:MFCD00793265
Product Description
Catalog Number:
AG00IRSU
Chemical Name:
2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
337923-00-9
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
MDL Number:
MFCD00793265
IUPAC Name:
2-benzyl-6-[2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
InChI:
InChI=1S/C20H20N2O2/c1-24-19-12-8-16(9-13-19)7-10-18-11-14-20(23)22(21-18)15-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3
InChI Key:
ZPDCJGHYKWGVHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C1=NN(C(=O)CC1)Cc1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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