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
-2.7199 -0.3287 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2236 0.0692 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 0.0488 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3310 0.4847 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0012 0.5059 1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 0.0820 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -0.3556 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1666 -0.3704 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 0.0906 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4919 0.1047 1.2323 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1043 -0.6858 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7940 -0.3192 -1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9113 0.4162 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0641 0.8200 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3478 0.8473 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2421 -0.6943 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 -0.7156 -1.8984 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