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
2.7399 0.5102 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -0.3523 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 -0.1991 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4873 -1.1670 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8443 -1.1015 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 0.0395 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4370 1.0226 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 0.9020 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 1.4071 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7785 0.3440 -0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1529 -1.2524 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -2.0407 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 -1.8855 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3543 0.1256 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 1.9155 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 1.7320 0.8513 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