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
-2.7770 0.2328 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8165 -0.6416 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4064 -0.2751 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5597 -1.2791 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8883 -0.9510 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3205 0.3526 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3974 1.3513 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 1.0232 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8254 -0.0997 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 1.2733 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0765 -1.6914 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2124 -2.3136 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6174 -1.7712 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4033 0.5526 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6965 2.3891 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 1.8477 -0.1678 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