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
2.6732 0.6938 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 -0.2782 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4191 -0.2028 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4698 -1.2433 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 -1.2071 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2672 -0.1012 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 0.9513 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0983 0.8940 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4109 1.6131 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7172 0.6249 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2085 -1.1725 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 -2.1162 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4842 -2.0323 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3122 -0.0320 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7976 1.8537 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5026 1.7547 0.7004 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