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
2.8024 -0.1536 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7265 -0.8725 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3897 -0.3437 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0952 0.9757 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 1.4727 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2772 0.6504 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 -0.6763 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -1.1590 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8146 -0.5796 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 0.9014 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8685 -1.9245 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8881 1.6956 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4074 2.5112 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2956 1.0335 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8713 -1.3169 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5132 -2.2143 -0.4816 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