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
    3.3505   -0.3123   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002   -0.8406    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -0.1459   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168    1.1503   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265    1.7770   -0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967    1.1279   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4877   -0.1683    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596   -0.7846    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   -0.8715    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2671   -0.8690   -0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    0.6933   -0.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837   -1.8772    0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229    1.6806   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045    2.8029   -0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    1.6355   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840   -1.8084    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.8849    0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365   -0.3492    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.9556   -0.3290 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