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
-2.7518 -0.2004 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7829 0.6597 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 0.2501 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0003 -1.0421 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 -1.3490 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -0.3525 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8799 0.9422 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5648 1.2470 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 -1.2376 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7683 0.1248 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0286 1.7016 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7277 -1.8382 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7039 -2.3557 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3475 -0.5822 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6267 1.7442 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 2.2881 -0.4419 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