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
2.9913 0.5856 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1241 -0.3931 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7184 -0.2112 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1409 1.0037 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1990 1.1246 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 0.0178 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4548 -1.2140 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0987 -1.3227 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3789 0.0912 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4812 0.1424 -1.0607 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6820 1.5948 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0191 0.4131 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5194 -1.4041 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7549 1.8868 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 2.0869 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0317 -2.1185 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -2.2833 0.3816 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