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
2.7771 -0.3807 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8504 0.5448 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 0.2525 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -1.0106 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4535 -1.2412 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3705 -0.2194 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8705 1.0471 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 1.2783 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 -1.4375 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8068 -0.0680 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1768 1.5653 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6283 -1.8304 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 -2.2387 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4361 -0.3879 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5933 1.8619 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1167 2.2645 -0.3282 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