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
-1.4210 -0.4134 -2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5939 -0.3178 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4812 -0.0794 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7185 0.0158 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3492 0.2407 2.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6375 0.3757 1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8856 0.2842 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8005 0.0539 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2644 -0.5914 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4586 -0.3203 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 -0.4179 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7281 -0.0892 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1744 0.3175 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4506 0.5536 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9004 0.3922 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -0.0042 -1.7058 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