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
2.6674 -0.6276 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 0.2723 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 0.1602 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3118 1.1737 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6885 1.1359 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3603 0.0703 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6159 -0.9280 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2218 -0.9035 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 -1.4991 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7367 -0.5039 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 1.1423 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2531 2.0012 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2056 1.9633 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 0.0366 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1046 -1.7812 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 -1.7126 0.9514 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