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
    3.5324   -0.7921   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -1.2036    0.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037   -0.4205    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    0.8784   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782    1.6832   -0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    1.1770   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062   -0.1153    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1438   -0.8755    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5957   -0.7067    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317   -0.0723    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    0.2254    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2270   -1.4941    0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234   -0.7885   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815    1.2793   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881    2.6963   -0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    1.8212   -0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2248   -1.9055    0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932   -1.7559    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7568    0.9415    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6604   -0.5723    0.7088 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