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
-2.9309 -0.8114 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 -0.6252 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6724 -0.2152 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2006 -0.0511 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4867 0.3377 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9628 0.5748 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0643 0.3995 1.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2544 0.0072 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3078 0.9756 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4060 1.3157 0.6817 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7502 -0.6764 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9538 -1.1245 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 -0.7912 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 -0.2296 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 0.4559 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.5733 2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9207 -0.1151 2.0200 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