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
    3.2226    0.7352   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    1.2277   -0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105    0.2727   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2031   -1.0697   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -2.0227   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445   -1.5802   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3653   -0.2235   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716    0.7008   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282    0.2150    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0733    1.4696    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    1.6188   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    0.0179   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    0.2115   -1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155   -1.4426   -0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643   -3.0987   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133   -2.2945    0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    1.7685   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722   -0.5504    0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    2.2898    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1112    1.7548    0.4677 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