Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.6520   -1.4826    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.3411   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332    0.1717   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001    1.3947   -0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.9090   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    1.2033   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -0.0021    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -0.4969    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -0.7466    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9232   -2.1269    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6776   -1.8707    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    0.2201   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456    1.8898   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    2.8603   -1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403    1.5979   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518   -1.4510    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -1.6885    1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -0.9640   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476   -0.0764    1.5551 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
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers