Monomers
4-Cyanostyrene
Identifiers
IUPAC name
4-ethenylbenzonitrile
InchI
InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
InchI Key
SNTUCKQYWGHZPK-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C#N
Canonical SMILES
C=CC1=CC=C(C=C1)C#N
Isomeric SMILES
C=CC1=CC=C(C=C1)C#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2013
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
-3.0423 0.5041 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -0.4633 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7541 -0.2562 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1076 -1.3199 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 -1.1794 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 0.0655 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1997 1.1406 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1652 0.9787 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4510 0.2147 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5979 0.3216 0.6247 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0978 0.3121 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7102 1.5205 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5435 -1.4977 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 -2.3133 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0845 -2.0316 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6558 2.1299 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7395 1.8736 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 3 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
8 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers