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
2.7510 -0.5240 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 0.4044 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4281 0.2051 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 1.2678 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7964 1.1181 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3761 -0.0800 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5316 -1.1097 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.9825 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8152 -0.3175 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4577 -1.5279 0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2498 1.3731 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0368 2.2041 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4241 1.9888 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4558 -0.1296 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9430 -2.0569 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 -1.8331 0.5419 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