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
2.7634 0.2450 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8037 -0.6107 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4105 -0.2820 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5563 -1.2503 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9043 -0.9801 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3441 0.3202 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3999 1.3011 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 1.0165 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8120 -0.0635 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6312 1.3258 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0866 -1.6636 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 -2.2712 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6358 -1.7774 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4043 0.5498 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 2.3263 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6781 1.8141 -0.2707 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