Monomers

1-Methoxy-3-vinylbenzene

Identifiers

IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.3382
H Bond Acceptors
1
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

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.2322   -0.8902   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    0.3266    0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758    0.5617    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652    1.7925    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5651    2.0919    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    1.0892    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -0.1576   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683   -0.4105   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.1813   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478   -1.0436   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -0.6599   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942   -1.4391   -0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4312   -1.5572    0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796    2.5574    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546    3.0756    0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023    1.3756    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   -1.3956   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -2.1528   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8633   -1.8926   -0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154   -0.0902   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  9 10  2  3
  8  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers