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
1.9339 -1.3039 2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 -1.6024 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.6167 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -0.9518 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5365 -0.0673 -1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0360 1.1998 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1085 1.5337 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 0.6425 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 2.1059 -2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 2.8337 -2.9440 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 -2.0462 2.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 -0.3616 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -2.5724 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3270 -1.9380 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4339 -0.3549 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5052 2.5336 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6158 0.9661 0.7486 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