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
2.6149 0.6647 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7157 -0.2932 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3979 -0.1766 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0579 0.9340 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3382 0.9817 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2028 -0.0846 -0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7581 -1.2058 -0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4963 -1.2506 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 0.5698 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3812 1.5849 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -1.2069 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 1.8063 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6394 1.8814 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 -0.0386 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4533 -2.0389 -0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1584 -2.1277 0.8444 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