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
2.7462 0.4398 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8584 -0.4756 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4398 -0.1975 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 0.9963 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 1.1579 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3495 0.1282 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8199 -1.0832 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4553 -1.2264 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4202 1.4155 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8184 0.2506 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2154 -1.4383 -0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5177 1.8369 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9079 2.1030 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4143 0.2155 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4592 -1.9357 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -2.1869 -0.6835 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