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
   -2.5855   -1.7151    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804   -0.4446   -0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562    0.1580   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935    1.4994   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275    2.1388   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    1.3882   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    0.0376    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969   -0.5412    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723   -0.7626    0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7906   -2.4019    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5836   -2.1282    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2289    0.1847   -0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8020    2.0663   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    3.1886   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    1.8429   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0602   -1.5845    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -1.4053   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -1.4537    1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123   -0.0676    0.6247 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