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
2.7324 0.1633 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5952 0.6357 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 0.2231 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8687 0.7405 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 0.3913 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1839 -0.4798 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0212 -1.0087 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2237 -0.6535 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8654 -0.5273 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6767 0.4881 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6079 1.3331 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8183 1.4273 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0298 0.7932 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1421 -0.7496 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0185 -1.7016 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 -1.0749 -1.1707 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