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
2.7852 0.3694 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8423 -0.4855 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4162 -0.2245 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5302 -1.1972 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 -0.9817 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3564 0.2010 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 1.1770 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 0.9539 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 1.3501 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8240 0.0730 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1212 -1.4679 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1407 -2.1257 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5342 -1.8062 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4187 0.3069 -0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 2.1152 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6242 1.7422 -0.6503 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