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
-2.6433 -1.5732 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 -1.1558 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.3981 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1301 0.0093 1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2943 0.7221 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 1.0728 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0151 0.6724 -1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 -0.0494 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9862 1.8174 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9648 2.4199 -0.3994 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5466 -2.1291 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4030 -1.3756 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1606 -1.3829 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 -0.2608 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8691 1.0251 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 0.9244 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7167 -0.3386 -1.8759 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