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
2.7273 0.5554 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 -0.4084 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -0.2072 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1765 1.0156 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5655 1.1319 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3704 0.0400 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7509 -1.1879 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -1.3138 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 1.5746 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7949 0.3918 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2848 -1.4163 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 1.8831 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9843 2.1200 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4456 0.1576 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3717 -2.0494 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1069 -2.2872 0.2815 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