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
-2.3828 -0.1143 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7150 -0.9467 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5709 -0.4510 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7717 0.1768 -0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2784 0.6386 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 0.5095 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 -0.1172 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7328 -0.5714 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7122 0.9551 -1.9757 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6364 1.3316 -2.6086 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1389 0.9260 2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 -0.5035 2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 -1.9628 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 0.2936 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1135 1.1200 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8269 -0.2276 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9322 -1.0568 1.7241 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