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
-0.3944 -2.3533 1.9264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9817 -1.7991 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4077 -0.6307 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 -0.0677 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5894 1.0418 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 1.6192 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2699 1.0855 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7553 -0.0484 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 2.7780 -1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 3.7282 -2.2758 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 -1.9758 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8395 -3.2210 2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 -2.2310 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9985 -0.5236 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1021 1.4801 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1928 1.5408 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 -0.4232 1.5171 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