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
-2.4920 -1.3379 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8493 -0.3144 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4576 0.0128 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3410 -0.7290 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6733 -0.3739 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2384 0.7380 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4502 1.4925 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 1.1354 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 -1.4997 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9934 -2.0084 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3868 0.3609 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 -1.6055 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 -0.9873 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2637 1.0245 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9166 2.3595 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 1.7325 1.4212 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