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
2.7074 0.5926 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8589 -0.3786 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4230 -0.2148 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4054 -1.3204 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7561 -1.2461 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2959 0.0191 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5067 1.1532 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1446 1.0256 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7427 0.3864 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3794 1.6094 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 -1.4108 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0316 -2.2990 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 -2.1170 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 0.1067 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9462 2.1562 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4329 1.9374 -0.0200 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