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
-2.4427 0.5369 -1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 0.1228 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7803 0.0097 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 0.3373 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 0.2179 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 -0.2311 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7485 -0.5560 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5364 -0.4450 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1604 -0.3676 1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2036 -0.4601 2.0210 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4802 0.6031 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7164 0.8354 -2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9659 -0.1605 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1767 0.6942 -1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4723 0.4754 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 -0.9130 2.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 -0.6995 1.9104 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