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
2.7477 0.6167 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9001 -0.3663 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -0.2195 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1599 0.9974 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 1.1075 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3722 0.0165 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7692 -1.2005 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3849 -1.3114 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4134 1.6168 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7996 0.4237 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2745 -1.3819 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 1.8844 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0317 2.0671 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4480 0.1233 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3669 -2.0884 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0841 -2.2857 0.3889 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