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
2.7344 -0.4486 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8451 0.3641 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 0.2084 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 -0.8285 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4592 -0.9799 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3289 -0.0711 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 0.9627 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4760 1.1262 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4556 -1.2855 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8119 -0.3261 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1721 1.2213 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5644 -1.5820 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 -1.7993 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4149 -0.1773 0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5205 1.6749 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0535 1.9406 -1.3352 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