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
2.3925 -0.9380 1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1142 -0.3926 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7605 -0.1333 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5675 0.2627 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 0.5800 -1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 0.4939 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 0.0885 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -0.2175 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0804 0.8329 -1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1565 1.1055 -1.8822 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 -1.2285 2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4171 -1.0859 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9488 -0.1133 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3962 0.3551 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7825 0.8828 -2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5121 0.0330 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2346 -0.5252 1.8649 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