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
    2.6847   -1.3216   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -0.1772    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895    0.2715    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992    1.5172    0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122    1.9124    1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568    1.1658    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396   -0.0531    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230   -0.5208   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881   -0.9616   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7584   -1.5985   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0168   -2.0529   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351    0.4724    0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390    2.0903    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8429    2.8735    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995    1.4761    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1629   -1.4826   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3588   -1.8768    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823   -0.4860   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0450   -1.2480   -1.5498 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