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
2.7555 0.1470 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7514 -0.6147 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -0.2679 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 0.8600 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 1.1926 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2726 0.3523 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -0.7833 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6645 -1.0826 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6358 1.0645 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7572 -0.2099 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9405 -1.5506 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 1.5634 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4578 2.1003 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3040 0.6522 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 -1.4463 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3789 -1.9772 1.3669 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