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
-2.7685 0.9287 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2518 0.2443 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7942 0.0452 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2620 -0.7010 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -0.9195 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 -0.4221 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 0.3074 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0856 0.5392 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4019 -0.6547 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5397 -0.8406 0.5434 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1756 1.3627 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8377 1.0735 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8878 -0.1848 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 -1.0972 1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5119 -1.5055 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 0.7101 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2493 1.1143 -1.6760 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