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
    3.3197    0.0507    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -0.4738    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978   -0.0246    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775    0.9894   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    1.3847   -1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963    0.7764   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -0.2455   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713   -0.6398    0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -0.9412    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2538   -0.3095    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    0.8492   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -1.2752    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    1.4783   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758    2.1973   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591    1.0838   -1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691   -1.4330    1.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025   -2.0156    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116   -0.8657    1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6328   -0.5858    0.0226 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