CAS
977-80-0 Purity
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977-80-0 Purity
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3-(2-Cyanophenyl)-2-methyl-1-propene
CAS
97780-98-8
Catalog Number
ACM97780988
Category
Other Products
Molecular Weight
157.21702
Molecular Formula
C11H11N
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Specification
Synonyms
3-(2-Cyanophenyl)-2-methyl-1-propene, 2-(2-Methylallyl)benzonitrile, 97780-98-8, AGN-PC-00MGVJ, CTK5H9519, MolPort-001-756-715, ZINC02567498, AKOS016016737, AG-H-98094, OR01942, 3-(2-Cyanophenyl)-2-methylprop-1-ene, 2-(2-methylprop-2-en-1-yl)benzonitrile, Benzonitrile, 2-(2-methyl-2-propenyl)-, KB-91536, KB-177172
IUPAC Name
2-(2-methylprop-2-enyl)benzonitrile
InChI Key
GBDRLTMHKWOQSX-UHFFFAOYSA-N
Boiling Point
246.7ºC at 760 mmHg
Flash Point
103ºC
Density
0.97g/cm³
Exact Mass
157.08900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The molecular formula is C11H11N.
What is the molecular weight of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The molecular weight is 157.21 g/mol.
What is the IUPAC name of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The IUPAC name is 2-(2-methylprop-2-enyl)benzonitrile.
What is the InChI of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The InChI is InChI=1S/C11H11N/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6H,1,7H2,2H3
What is the InChIKey of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The InChIKey is GBDRLTMHKWOQSX-UHFFFAOYSA-N.
What is the canonical SMILES of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The canonical SMILES is CC(=C)CC1=CC=CC=C1C#N.
What is the XLogP3 value of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The XLogP3 value is 3.5.
What is the hydrogen bond acceptor count of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The hydrogen bond acceptor count is 1.
What is the topological polar surface area of 3-(2-Cyanophenyl)-2-methyl-1-propene?
The topological polar surface area is 23.8 Ų.
Is 3-(2-Cyanophenyl)-2-methyl-1-propene a canonicalized compound?
Yes, it is a canonicalized compound.
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