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
   -3.0998   -1.1671    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495    0.1148    0.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    0.4407   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0001    1.7392   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    2.1615   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3126    1.2308   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.0538    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -0.4432    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804   -1.0590    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3368   -0.7357    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0926   -1.1301    0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4287   -1.6999    1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2303   -1.7406   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    2.4430   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    3.1729   -0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.5829   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -1.4657    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -2.0802    0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0749   -1.5416    0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.2313   -0.2168 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