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
    2.9680   -0.9691    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460    0.3803    0.5072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160    0.6570    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070    1.9475   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039    2.2030   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326    1.1688   -0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453   -0.1245   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -0.3467    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -1.2448   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1508   -1.1567   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2822   -1.3834    1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9788   -0.9570    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715   -1.5732   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    2.7445   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368    3.1956   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3670    1.3457   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -1.3952    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053   -2.2491   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272   -0.2089   -0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7943   -2.0340   -0.5535 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