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2-[3,5-bis(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile

2-[3,5-bis(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile

CAS: 16144-65-3

Formula: C15H15N3

SMILES: CC1=C(CC#N)C(C)=C(CC#N)C(C)=C1CC#N

IUPAC: 2-[3,5-bis(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile

InChI: InChI=1S/C15H15N3/c1-10-13(4-7-16)11(2)15(6-9-18)12(3)14(10)5-8-17/h4-6H2,1-3H3

Composition: C (75.92%), H (6.37%), N (17.71%)

Molar Mass: 237.306

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.126597495
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CSLAMVTZXAQVLD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.04
Topological Polar Surface Area 71.37
Polarizability 26.18
Ring Count 1
Rotatable Bond Count 3

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