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
2.7678 0.1157 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8038 -0.6363 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3989 -0.2716 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 -1.1083 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 -0.8252 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 0.3631 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3621 1.2336 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0172 0.9081 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6407 1.0732 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8229 -0.1817 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 -1.5686 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2720 -2.0424 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6938 -1.4797 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 0.6343 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 2.1699 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 1.6158 -0.9050 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