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
2.7203 -0.5856 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 0.3702 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4159 0.1957 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4205 1.2589 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7720 1.1372 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3761 -0.0203 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5050 -1.0492 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1384 -0.9652 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 -1.5554 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7970 -0.3999 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 1.3303 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0121 2.2043 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4124 1.9805 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4498 -0.0921 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8933 -1.9863 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -1.8230 0.6021 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