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
-2.7250 0.6011 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 -0.2773 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4249 -0.1845 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -1.1277 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 -1.0798 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3112 -0.0447 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4342 0.9125 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0743 0.8381 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7797 0.5157 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4718 1.4497 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1574 -1.1339 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1156 -1.9375 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5142 -1.8538 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3741 -0.0294 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7959 1.7245 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 1.6271 0.9601 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