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
    2.9510   -0.9799   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.1931   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795    0.4283   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    1.7118    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319    1.9873    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    0.9597    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -0.3265    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323   -0.5668   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -1.4293    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3428   -1.8593   -0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.0714   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0728    1.0638   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.5178    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917    2.9787    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8118    1.1954    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -1.5843   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0692   -1.2470   -0.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751   -2.3544   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029   -1.6170    0.9893 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