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
    3.2745    0.6477    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    1.0863   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.2440    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -1.0539    0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846   -1.8455    0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992   -1.2858    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951    0.0161   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    0.7618   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330    0.5986   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.3372    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1218    1.3022   -0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    2.0890   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8954   -1.4806    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0738   -2.8578    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173   -1.8604    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    1.7777   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    1.7059   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096    0.3408   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069    0.1511    0.1943 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