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36023-64-0 | 5,6-Dioxo-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile
CAS No: 36023-64-0 Catalog No: AG003MAB MDL No:MFCD00191690
Product Description
Catalog Number:
AG003MAB
Chemical Name:
5,6-Dioxo-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile
CAS Number:
36023-64-0
Molecular Formula:
C6H2N4O2
Molecular Weight:
162.1057
MDL Number:
MFCD00191690
IUPAC Name:
5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C6H2N4O2/c7-1-3-4(2-8)10-6(12)5(11)9-3/h(H,9,11)(H,10,12)
InChI Key:
OTVDGBINMCDFTF-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(=O)c(=O)[nH]c1C#N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.108g/mol
Monoisotopic Mass:
162.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Triple hydrogen bonds direct crystal engineering of metal-assembled complexes: the effect of a novel organic-inorganic module on supramolecular structure. | Chemistry (Weinheim an der Bergstrasse, Germany) 20051104 |
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