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
2.7290 0.4456 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8941 -0.3873 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4527 -0.1962 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 -1.1358 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 -0.9857 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3592 0.0905 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 1.0283 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 0.8642 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7917 0.2765 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3516 1.3261 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3092 -1.2608 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -1.9873 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 -1.7616 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4369 0.1792 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 1.8736 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 1.6307 1.0151 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