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102632-06-4 | 2-Naphthalenecarbonitrile, 5,8-dihydro-6,7-dimethoxy-5,8-dioxo-
CAS No: 102632-06-4 Catalog No: AG000803 MDL No:
Product Description
Catalog Number:
AG000803
Chemical Name:
2-Naphthalenecarbonitrile, 5,8-dihydro-6,7-dimethoxy-5,8-dioxo-
CAS Number:
102632-06-4
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
6,7-dimethoxy-5,8-dioxonaphthalene-2-carbonitrile
InChI:
InChI=1S/C13H9NO4/c1-17-12-10(15)8-4-3-7(6-14)5-9(8)11(16)13(12)18-2/h3-5H,1-2H3
InChI Key:
DKLIPQDBPRPIOP-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)cc(C#N)cc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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