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
2.8441 1.0747 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1348 0.6178 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 0.1944 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0029 0.2301 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 -0.1813 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 -0.6473 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2206 -0.6870 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0957 -0.2787 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3351 -1.0731 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -1.4317 0.0169 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8733 1.3749 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 1.1732 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6294 0.5435 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 0.6001 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8643 -0.1249 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7377 -1.0613 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 -0.3235 2.2594 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