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
-2.7398 -0.5304 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8589 0.4337 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 0.2251 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 1.3181 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7813 1.1900 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3229 -0.0829 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5182 -1.1930 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1378 -1.0180 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -1.5440 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7952 -0.3442 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2792 1.4525 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 2.2890 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 2.0501 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4004 -0.1648 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -2.1785 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 -1.9028 -0.1011 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