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
-2.5606 -1.6387 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7636 -0.8146 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6032 -0.2393 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2693 -0.4850 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 0.0863 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6853 0.9266 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3521 1.1737 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2511 0.6213 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 1.5271 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7931 1.9895 1.8332 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -2.0430 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4179 -1.9503 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.5276 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 -1.1482 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0791 -0.1375 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0118 1.8396 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 0.8202 -2.2249 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