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
-2.7661 0.2274 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8249 -0.6319 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 -0.2461 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -1.1952 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9161 -0.9489 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3254 0.3083 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3912 1.2780 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0211 0.9899 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 1.2266 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8083 -0.0948 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 -1.6311 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2421 -2.1768 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 -1.6968 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3954 0.5510 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6573 2.2839 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6997 1.7567 0.5427 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