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
-2.9079 0.1115 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8535 -0.6792 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6040 -0.3498 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4376 0.8363 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 1.1738 0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 0.3118 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6536 -0.8696 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4745 -1.2217 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0962 0.6354 1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1246 0.8975 1.9515 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8343 -0.2054 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9705 1.0647 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9247 -1.6395 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2311 1.5395 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 2.1093 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5291 -1.5352 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3849 -2.1794 -0.9917 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