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
-1.3297 2.7457 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6727 1.5245 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6727 0.4600 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0262 -0.8426 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0893 -1.8481 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2447 -1.6431 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5934 -0.3508 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6534 0.6650 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2121 -2.7029 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 -3.5525 0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0844 3.5530 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 3.0970 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 1.3330 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 -1.0316 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 -2.8818 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6406 -0.1623 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0128 1.6375 -0.5322 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