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
-2.2796 -1.9894 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9410 -0.7833 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6953 -0.2006 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -0.8637 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3304 -0.2535 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 1.0315 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 1.6845 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3634 1.1033 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8936 1.6582 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8589 2.1686 1.4071 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2108 -2.4186 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -2.6133 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 -0.1980 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0270 -1.8881 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0350 -0.7845 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 2.7081 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0478 1.6388 -1.3565 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