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1018-78-6 | 2,3-Naphthalenedicarbonitrile, 1,4-dihydro-1,4-dioxo-
CAS No: 1018-78-6 Catalog No: AG0005LL MDL No:
Product Description
Catalog Number:
AG0005LL
Chemical Name:
2,3-Naphthalenedicarbonitrile, 1,4-dihydro-1,4-dioxo-
CAS Number:
1018-78-6
Molecular Formula:
C12H4N2O2
Molecular Weight:
208.1724
IUPAC Name:
1,4-dioxonaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C12H4N2O2/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4H
InChI Key:
KIAJWKWOKTWTIZ-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C(=O)c2c(C1=O)cccc2
NSC Number:
146588
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.176g/mol
Monoisotopic Mass:
208.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Electron donor-acceptor interaction of 3,4-dimethylaniline with 2,3-dicyano-1,4-naphthoquinone. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110101 |
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