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
2.7901 0.1904 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 -0.6163 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4120 -0.2529 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0571 1.0085 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4184 1.2905 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3507 0.3448 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8812 -0.9188 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5229 -1.2035 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5751 1.2065 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -0.1570 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0902 -1.6536 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 1.7622 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7397 2.2988 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4000 0.6007 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5872 -1.6772 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1793 -2.2229 -0.6263 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