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
2.7718 0.2341 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 -0.5835 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3790 -0.2831 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 0.9350 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3086 1.2549 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2740 0.3037 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 -0.9304 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6313 -1.2094 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6240 1.2240 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -0.0173 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0270 -1.5691 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7257 1.7203 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 2.2366 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3156 0.5318 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7273 -1.6861 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -2.1615 0.7913 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