3,6-dimethoxybenzene-1,2-dicarbonitrile

3,6-dimethoxybenzene-1,2-dicarbonitrile

CAS: 40904-87-8

Formula: C10H8N2O2

SMILES: COC1=CC=C(OC)C(C#N)=C1C#N

IUPAC: 3,6-dimethoxybenzene-1,2-dicarbonitrile

InChI: InChI=1S/C10H8N2O2/c1-13-9-3-4-10(14-2)8(6-12)7(9)5-11/h3-4H,1-2H3

Composition: C (63.83%), H (4.29%), N (14.89%), O (17.00%)

Molar Mass: 188.186

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.058577506
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RBECBXIJJTWGFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.43
Topological Polar Surface Area	66.04
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	2

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