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
    3.5677    0.2605   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    0.4718   -0.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523    0.1760   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002   -0.3269    1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0933   -0.6351    1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -0.4332    0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803    0.0638   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.3642   -0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870    0.2978   -1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    0.0328   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    1.0394    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258   -0.7734    0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    0.3257   -0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306   -0.4808    1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -1.0291    2.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -0.6761    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    0.7613   -1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3879    0.6997   -2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7713   -0.3551    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5407    0.2167   -1.2114 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