2-(2H-1,3-benzodioxol-5-ylmethylidene)propanedinitrile

2-(2H-1,3-benzodioxol-5-ylmethylidene)propanedinitrile

CAS: 2972-82-9

Formula: C11H6N2O2

SMILES: N#CC(=CC1=CC=C2OCOC2=C1)C#N

IUPAC: 2-[(2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile

InChI: InChI=1S/C11H6N2O2/c12-5-9(6-13)3-8-1-2-10-11(4-8)15-7-14-10/h1-4H,7H2

Composition: C (66.67%), H (3.05%), N (14.14%), O (16.15%)

Molar Mass: 198.181

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.042927441
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AWMFEYQOEQDZKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.86
Topological Polar Surface Area	66.04
Polarizability	19.62
Ring Count	2
Rotatable Bond Count	1

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