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
2.6519 0.7584 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8962 -0.2131 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4603 -0.1669 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -1.2122 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7207 -1.2025 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 -0.1449 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 0.8924 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1957 0.8683 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3287 1.6401 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7446 0.6868 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -1.0889 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1564 -2.0381 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 -2.0579 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4231 -0.1735 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 1.7358 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 1.7161 0.8607 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