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
2.7768 -0.2861 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 0.6126 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4055 0.3005 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5628 1.2847 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9133 1.0180 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2904 -0.3236 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3847 -1.3486 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -0.9909 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8152 0.0737 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5801 -1.3399 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0881 1.6786 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2199 2.3039 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6717 1.7854 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3566 -0.5302 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6974 -2.3928 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6383 -1.8454 0.3216 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