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
-2.0553 -1.3061 1.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3808 -0.1772 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 0.0359 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 -0.8813 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5688 -0.6452 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3322 0.4996 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1724 1.4081 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 1.1921 0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 0.7527 -2.5829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0033 0.9498 -3.4370 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 -2.0939 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7147 -1.4367 2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4919 0.6127 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8793 -1.7746 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -1.3868 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7753 2.3221 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1910 1.9287 1.3674 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