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
2.7466 -0.4704 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7421 0.2809 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 0.1690 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 -0.7727 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 -0.8439 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2860 -0.0062 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 0.9220 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 1.0246 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -1.2505 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 -0.3509 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9773 1.0501 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7555 -1.4761 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5750 -1.5814 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3222 -0.0625 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6695 1.5840 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3340 1.7839 -1.5012 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