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
-2.7438 -0.5242 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8545 0.4257 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 0.2081 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1502 -1.0153 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5303 -1.1548 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3478 -0.0687 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 1.1617 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4121 1.3081 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -1.5365 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8087 -0.3633 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2697 1.4415 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4538 -1.8976 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 -2.1214 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4033 -0.2093 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3789 2.0530 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 2.2931 -0.4183 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