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Home > Pyridines > 149455-36-7
149455-36-7 | 2-Naphthalenecarbonitrile, 5,6-dihydro-6,6-dimethyl-5-oxo-8-(2-oxo-1(2H)-pyridinyl)-
CAS No: 149455-36-7 Catalog No: AG001LQB MDL No:
Product Description
Catalog Number:
AG001LQB
Chemical Name:
2-Naphthalenecarbonitrile, 5,6-dihydro-6,6-dimethyl-5-oxo-8-(2-oxo-1(2H)-pyridinyl)-
CAS Number:
149455-36-7
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
6,6-dimethyl-5-oxo-8-(2-oxopyridin-1-yl)naphthalene-2-carbonitrile
InChI:
InChI=1S/C18H14N2O2/c1-18(2)10-15(20-8-4-3-5-16(20)21)14-9-12(11-19)6-7-13(14)17(18)22/h3-10H,1-2H3
InChI Key:
PJCGOKFHROWGBX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(=CC(C2=O)(C)C)n1ccccc1=O
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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