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
-2.6452 -0.7244 1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 0.2749 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6335 0.1882 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -0.9911 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 -1.0581 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7553 0.0835 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 1.2676 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 1.3293 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9734 0.0619 -1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9447 0.0441 -2.4768 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3914 -1.7164 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5355 -0.5582 2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1589 1.2756 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7149 -1.9050 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 -1.9999 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8752 2.1708 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2331 2.2572 0.5289 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