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
2.7091 0.3796 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 -0.5546 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 -0.2439 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4918 -1.2910 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8181 -1.0480 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3168 0.2265 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 1.2594 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 1.0179 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 1.4109 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7343 0.1183 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1186 -1.5887 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -2.3006 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 -1.8869 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3707 0.3505 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7637 2.2787 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6025 1.8717 -0.0308 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