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
-1.8553 0.2916 -1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6183 -0.4173 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4277 -0.2091 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 0.7427 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6358 0.9514 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 0.1751 1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 -0.7885 1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2144 -0.9738 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2413 1.0669 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7958 0.0529 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3167 -1.1896 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3894 1.3895 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3470 1.7135 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7301 0.3386 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0798 -1.3992 2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -1.7446 1.3280 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