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
-2.7559 0.4195 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 -0.5128 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -0.2366 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0961 1.0300 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4776 1.2070 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3561 0.1550 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 -1.1061 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 -1.2891 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 1.4778 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8271 0.1837 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 -1.5499 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5686 1.9028 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 2.2438 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 0.3282 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5487 -1.9306 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1252 -2.3225 0.1624 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