3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile

CAS: 4622-04-2

Molecular Formula	`C8H2N2O2`
Molecular Weight	158.11 g/mol
LogP	-0.1
Topological Polar Surface Area	81.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	158.01163
Heavy Atoms	12
Complexity	382.0

Chemical Identifiers

CAS Number	4622-04-2
SMILES	`C1=CC(=O)C(=C(C1=O)C#N)C#N`
InChIKey	`DNXUGBMARDFRGG-UHFFFAOYSA-N`

📖 Product Overview

3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (CAS: 4622-04-2) is a chemical compound with molecular formula C8H2N2O2 and molecular weight 158.11 g/mol. Its IUPAC systematic name is 3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile. LogP -0.1 Topological Polar Surface Area 81.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 158.01163 Heavy Atoms 12 Complexity 382.0 InChI Key: DNXUGBMARDFRGG-UHFFFAOYSA-N. SMILES: C1=CC(=O)C(=C(C1=O)C#N)C#N.

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