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
    1.9044    1.7834   -1.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    1.3683   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9181    0.5166    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.1233    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979   -0.6841    2.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -1.0966    1.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527   -0.7314    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1838    0.0779   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362   -1.1949   -0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    2.4148   -2.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1098    1.5362   -2.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979    1.6817    0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245    0.4801    2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255   -0.9740    3.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7383   -1.7352    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    0.3582   -1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -1.4000   -1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323   -0.4271   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718   -2.0970   -0.2718 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