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
2.4111 1.3339 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8863 0.4283 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4763 0.0248 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 -0.9565 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3121 -1.3796 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 -0.8044 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 0.1766 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4387 0.5658 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4726 1.5697 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 1.8348 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 -0.0757 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6974 -1.3967 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -2.1360 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 -1.1209 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4686 0.6169 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 1.3190 1.3557 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