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
2.6445 0.7330 1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 0.8802 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4003 0.3409 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7678 -0.3522 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1678 -0.8400 -1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 -0.6654 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9043 0.0317 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9718 0.5220 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 -1.1882 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.6006 -2.9261 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 1.1511 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1369 0.2225 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9886 1.4141 2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 -0.5110 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1308 -1.3895 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 0.1808 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 1.0706 1.6837 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