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
-2.7558 0.2148 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 -0.6549 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3940 -0.2716 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 1.0455 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3493 1.3551 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3029 0.3537 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 -0.9663 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -1.2850 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7800 -0.1470 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5711 1.2675 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0027 -1.7291 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7212 1.8211 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 2.4041 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3373 0.6084 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6857 -1.7151 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2580 -2.3011 -0.0240 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