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
-0.7699 -1.5900 -2.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.7459 -1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 -0.2073 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 -0.4734 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4911 0.0484 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8725 0.8742 1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4580 1.1446 1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 0.6278 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5999 1.4064 2.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 1.8572 3.6763 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2319 -1.9405 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -1.9376 -3.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3190 -0.4048 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3056 -1.1196 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 -0.1917 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 1.8002 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1847 0.8520 0.2153 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