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
-2.5948 1.1221 1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6556 0.2161 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5310 -0.0169 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4237 -0.9783 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4983 -1.2039 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6385 -0.4455 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6939 0.5033 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3956 0.7380 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 -0.6836 -2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6595 -0.8941 -2.7960 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3901 1.1866 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6160 1.7848 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -0.4319 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 -1.5658 1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2052 -1.9654 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7918 1.1066 -2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0969 1.5279 -0.8971 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