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
-2.7068 0.6459 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 -0.3080 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4482 -0.2066 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1854 0.9226 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5786 1.0260 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3169 -0.0284 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7317 -1.1978 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3545 -1.2512 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7693 0.4959 -0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 1.5776 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3721 -1.2462 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3724 1.7904 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0690 1.9417 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4151 0.0190 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 -2.0183 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0987 -2.1625 -1.1472 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