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
-2.5462 -1.0275 -1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -0.6337 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7636 -0.2040 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 -0.1754 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 0.2390 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8753 0.6457 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9003 0.6178 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 0.2066 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2264 1.0790 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3096 1.4083 1.1104 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 -1.0750 -2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 -1.3371 -1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -0.6301 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0438 -0.4839 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2592 0.2543 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1743 0.9366 2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1659 0.1795 2.0542 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