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
-2.7547 1.4178 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 0.2761 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7618 -0.0092 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 -1.2608 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 -1.5788 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9295 -0.6076 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4383 0.6410 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 0.9713 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3307 -0.8467 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4700 -1.0219 0.1299 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 1.5496 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1794 2.2429 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8107 -0.5337 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9234 -2.0607 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4679 -2.5533 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1114 1.4057 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2044 1.9684 0.2582 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