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
2.7201 0.5471 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8790 -0.3060 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 -0.1676 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3901 -1.1322 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7522 -1.0386 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3675 -0.0170 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5463 0.9244 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 0.8410 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8091 0.4620 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3875 1.3921 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -1.1483 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 -1.9415 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4021 -1.7863 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 0.0270 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9911 1.7335 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4590 1.6106 1.0101 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