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
2.5398 1.0546 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8136 0.4343 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4357 0.0630 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3204 -0.6082 -1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 -0.9979 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2397 -0.7236 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5132 -0.0639 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1948 0.3251 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5820 1.3546 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1659 1.3163 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 0.1942 -1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1817 -0.8201 -2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1958 -1.5216 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2674 -1.0193 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9662 0.1696 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3376 0.8429 1.7558 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