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
2.6752 -0.6066 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 0.1785 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3906 0.1351 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0167 -0.7267 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 -0.7291 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2615 0.1239 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8717 0.9841 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6057 1.0058 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6889 -0.5588 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 -1.3300 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9399 0.8937 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -1.4134 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5112 -1.4279 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2650 0.1139 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6211 1.6679 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2989 1.6897 1.5589 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