Compound C12H13N3O2

2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione

CAS: 68-76-8

Molecular Formula	`C12H13N3O2`
Molecular Weight	231.25 g/mol
LogP	-0.1
Topological Polar Surface Area	43.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	231.10077
Heavy Atoms	17
Complexity	494.0

Chemical Identifiers

CAS Number	68-76-8
SMILES	`C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4`
InChIKey	`PXSOHRWMIRDKMP-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H13N3O2 (CAS: 68-76-8) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.25 g/mol. Its IUPAC systematic name is 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione. LogP -0.1 Topological Polar Surface Area 43.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 231.10077 Heavy Atoms 17 Complexity 494.0 InChI Key: PXSOHRWMIRDKMP-UHFFFAOYSA-N. SMILES: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4.

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