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
2.7267 0.6577 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8998 -0.3610 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4484 -0.2224 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 0.9970 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 1.1098 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3738 -0.0031 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7465 -1.2184 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3707 -1.3266 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7859 0.4540 0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4370 1.6843 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2797 -1.3853 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 1.8916 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0383 2.0790 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4531 0.0566 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 -2.0977 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0943 -2.3156 0.3032 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