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
   -3.2857   -0.4885   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -1.0153   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   -0.2128   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    1.1663   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453    1.9069    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    1.2782    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741   -0.0975    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436   -0.8587    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -0.7803    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1874   -1.1285   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4528    0.5710   -0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984   -2.0899   -0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    1.7231   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    2.9860    0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    1.8457    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896   -1.9567    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.6865   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073   -0.0947   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126   -1.0676    1.2505 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