2-methylbenzene-1,3-dicarbonitrile

2-methylbenzene-1,3-dicarbonitrile

CAS: 2317-22-8

Formula: C9H6N2

SMILES: CC1=C(C=CC=C1C#N)C#N

IUPAC: 2-methylbenzene-1,3-dicarbonitrile

InChI: InChI=1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3

Composition: C (76.04%), H (4.25%), N (19.71%)

Molar Mass: 142.161

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	142.053098201
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SVQCNROYIFLAMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.54
Topological Polar Surface Area	47.58
Polarizability	15.76
Ring Count	1
Rotatable Bond Count	0

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