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
2.6882 0.8773 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9013 -0.0802 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 -0.1250 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2774 -1.2075 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6382 -1.2723 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 -0.2955 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6448 0.7771 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2566 0.8450 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2492 1.6999 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7556 0.8944 -0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3764 -0.8950 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -1.9959 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 -2.1122 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4331 -0.3776 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 1.5695 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2869 1.6979 0.9197 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