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
2.7129 -0.5832 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8351 0.1502 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 0.1150 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 0.9239 0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8333 0.9303 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3331 0.1328 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 -0.6590 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 -0.6819 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 -1.2485 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7704 -0.5318 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1508 0.8059 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 1.5424 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4899 1.5849 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3911 0.1502 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8022 -1.2984 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5827 -1.3328 -1.3451 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