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
-3.0673 0.0270 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0294 -0.7380 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6629 -0.3787 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3875 -1.2668 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6695 -0.8580 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9778 0.3798 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 1.2386 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3672 0.8542 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3455 0.7603 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4333 1.0550 -1.0151 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0695 -0.3411 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0085 1.0168 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1979 -1.7448 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1588 -2.2419 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4854 -1.5452 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1432 2.2000 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1283 1.5828 -0.6020 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