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
    2.9024   -1.0782    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    0.1320    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842    0.4090   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    1.7183   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    2.0390   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169    1.0220   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -0.2958   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0358   -0.5716   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193   -1.3836   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934   -1.9647   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626   -1.2594    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915    0.9658    0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804    2.5012    0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0840    3.0897   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699    1.2742   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -1.6175   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755   -1.0341   -0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -1.6290   -1.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076   -2.3173    0.0175 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