Monomers

Benzene, (1-methoxyethenyl)-

Identifiers

IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
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
2.3037
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
   -2.6365   -0.7345    1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141    0.4590    0.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524    0.7080   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864    1.2953   -1.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    0.3200   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588   -0.3029    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0765   -0.6964    0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339   -0.4916   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.1272   -1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742    0.5354   -1.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3928   -0.9225    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -0.6286    2.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -1.6170    1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1996    1.5468   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7519    1.5750   -1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -0.4906    1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363   -1.1773    1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706   -0.8027   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712    0.2916   -2.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    1.0058   -2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers