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
2.6948 0.3725 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8312 -0.5333 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4317 -0.2115 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 1.0177 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 1.2400 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 0.2075 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -1.0490 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 -1.2530 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3879 1.3754 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7235 0.0865 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 -1.5501 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 1.8456 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8691 2.2351 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3787 0.3400 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4130 -1.8824 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -2.2411 -0.4959 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