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
   -3.3808   -0.5110   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598   -0.9759   -0.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -0.1418   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471    1.2144    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    2.0279    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383    1.4786    0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    0.1098    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893   -0.6681   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581   -0.4446    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0254   -1.7169    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0489   -1.3946   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5811    0.1769    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5182   -0.0031   -1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    1.6218    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    3.0766    0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    2.1339    0.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683   -1.7324   -0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    0.2470    0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583   -2.0628    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322   -2.4356   -0.1455 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