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
   -1.9677   -0.0060    2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    0.9218    1.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154    0.8301    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699    1.7540   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    1.7176   -1.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188    0.7316   -1.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -0.2008   -0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0391   -0.1610    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -1.2221   -0.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0538   -2.1359    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0297    0.1510    2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    0.1475    2.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057   -1.0266    1.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372    2.5349   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737    2.4473   -2.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    0.6847   -2.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469   -0.8600    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -1.2086   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083   -2.2392    0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.8603    0.0231 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