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
-2.9436 0.7417 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1657 -0.3115 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7465 -0.2048 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0963 0.9951 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2691 1.0705 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 -0.0872 -0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 -1.2683 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -1.3472 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 -0.0332 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 -0.0049 -1.0338 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9969 0.5716 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6061 1.7476 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5851 -1.2979 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6522 1.9217 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 2.0171 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 -2.1995 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4561 -2.3108 0.1611 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