Monomers
Styrene
Identifiers
IUPAC name
styrene
InchI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
PPBRXRYQALVLMV-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1
Canonical SMILES
C=CC1=CC=CC=C1
Isomeric SMILES
C=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8
Heavy Atom Count
8
Molecular Weight
104.152
Exact Molecular Weight
104.0626
Valence Electrons
40
Radical Electrons
0
tPSA
0.0
MolLogP
2.3296
H Bond Acceptors
0
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.7795 0.3462 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 -0.5584 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4238 -0.2512 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 1.0093 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4427 1.2368 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3572 0.2240 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8788 -1.0358 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5244 -1.2650 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8223 0.0774 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5996 1.3935 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 -1.5804 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6345 1.8298 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7634 2.2575 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4023 0.4406 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6024 -1.8405 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1519 -2.2839 0.3897 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
8 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers