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
-3.0976 0.2854 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1456 -0.5968 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7297 -0.2974 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2096 -1.3094 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -1.0806 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0415 0.1982 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1083 1.2139 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2544 0.9803 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4488 0.4651 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5766 0.6597 0.5182 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8794 1.3195 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1381 0.0093 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 -1.6488 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 -2.3406 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2934 -1.8964 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4966 2.2202 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 1.8184 0.1384 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