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2-methylquinoline-4-carbonitrile

2-methylquinoline-4-carbonitrile

CAS: 29196-15-4

Formula: C11H8N2

SMILES: CC1=NC2=CC=CC=C2C(=C1)C#N

IUPAC: 2-methylquinoline-4-carbonitrile

InChI: InChI=1S/C11H8N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,1H3

Composition: C (78.55%), H (4.79%), N (16.66%)

Molar Mass: 168.199

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 168.068748266
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BQAMFFZNQIMHJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.29
Topological Polar Surface Area 36.68
Polarizability 20.61
Ring Count 2
Rotatable Bond Count 0

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