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
    3.3445   -0.2233    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703   -0.7540   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8935   -0.1160   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    1.1249    0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907    1.7304    0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351    1.0559    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -0.1892   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670   -0.7684   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395   -0.9201   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454   -0.7696   -0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    0.7357    0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -1.7479   -0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.6803    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    2.7067    1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.4962    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469   -1.7600   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.3565   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942   -1.7079    0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020   -0.2171   -0.6222 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