2-(2,4-dimethylphenyl)acetonitrile

2-(2,4-dimethylphenyl)acetonitrile

CAS: 68429-53-8

Formula: C10H11N

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

IUPAC: 2-(2,4-dimethylphenyl)acetonitrile

InChI: InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3

Composition: C (82.72%), H (7.64%), N (9.65%)

Molar Mass: 145.205

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	145.089149358
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OOWISQLTVOZJJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.43
Topological Polar Surface Area	23.79
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	1

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