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
-2.7035 -0.6032 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 -1.1535 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3111 -0.3748 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2773 0.9881 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 1.6747 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1191 1.0100 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0849 -0.3533 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 -1.0625 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8231 0.4554 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5923 -1.2088 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4985 -2.2536 -0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 1.5486 -0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9162 2.7634 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0557 1.5813 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0484 -0.8603 0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8889 -2.1514 -0.0761 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