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
    1.9543   -1.4445    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0512   -0.0769    1.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    0.5542    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    1.9073    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043    2.4641   -0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357    1.7194   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219    0.3666   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0561   -0.1903    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923   -0.4307   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -1.7107   -0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154   -1.6295    2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -1.8234    2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911   -2.0407    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141    2.4719    0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453    3.5179   -0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236    2.1569   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401   -1.2491    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440    0.0475   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.3287   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525   -2.2814   -1.3864 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