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
-2.9556 -0.0203 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0894 0.7274 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 0.3209 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 -0.8545 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1537 -1.1953 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9612 -0.3306 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4506 0.8748 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1315 1.1853 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 -0.7027 -0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.9965 -0.9211 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6749 -0.9827 1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9949 0.3166 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4467 1.6871 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7871 -1.5678 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 -2.1544 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1042 1.5675 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 2.1253 -1.0315 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