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
   -3.2692   -0.5976   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667   -1.1076   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949   -0.2600   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874    1.0971   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456    1.8783   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    1.3221   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5142   -0.0443   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.8197   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -0.6579   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1443   -1.2689    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.4433   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475   -2.1900    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388    1.6255   -0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    2.9622   -0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    1.9700   -0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -1.9178   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    0.1106   -0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871   -1.2476    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244   -1.2978   -1.0063 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