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113684-83-6 | 1,2-Benzenedicarbonitrile, 4,5-dibutoxy-
CAS No: 113684-83-6 Catalog No: AG0009BY MDL No:
Product Description
Catalog Number:
AG0009BY
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-dibutoxy-
CAS Number:
113684-83-6
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
4,5-dibutoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H20N2O2/c1-3-5-7-19-15-9-13(11-17)14(12-18)10-16(15)20-8-6-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
AYSGJQJWPVLOAT-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C#N)c(cc1OCCCC)C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Metal effects on electronic structures of directly linked tribenzotetraazachlorin-fullerene conjugates. | Inorganic chemistry 20080407 |
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