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28657-58-1 | 3(2H)-Pyridazinone, 4-methyl-6-(1-naphthalenyl)-
CAS No: 28657-58-1 Catalog No: AG002VZK MDL No:
Product Description
Catalog Number:
AG002VZK
Chemical Name:
3(2H)-Pyridazinone, 4-methyl-6-(1-naphthalenyl)-
CAS Number:
28657-58-1
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
5-methyl-3-naphthalen-1-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C15H12N2O/c1-10-9-14(16-17-15(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,17,18)
InChI Key:
WMDRFNQFXAVAFS-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(cc1C)c1cccc2c1cccc2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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