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
    3.2245    0.6461   -1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870    1.0138   -1.0848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    0.1736   -0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283   -1.0788   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609   -1.8824    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -1.4439    0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620   -0.1610    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795    0.6283   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    0.2621    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480    1.4359   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479   -0.4102   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    0.7044   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    1.3467   -1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668   -1.4062   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -2.8732    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -2.0704    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    1.6244   -0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4769   -0.4166    0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1911    1.7647   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803    2.1427   -0.5652 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