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
   -3.3784    0.0773    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -0.6208    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317   -0.0515    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994    1.2956    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855    1.8279    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767    0.9985    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -0.3646   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916   -0.8611   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560   -1.2817   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587   -0.3680    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    1.1435    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131   -1.7096   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    2.0002    0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633    2.8927    0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    1.3846    0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.9267   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365   -0.7972    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -1.3758   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -2.2633    0.2723 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