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
   -3.2451    1.1287    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580    1.3194    0.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    0.3107   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3838   -0.9689   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -1.9641   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003   -1.6593   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -0.3566   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269    0.6256    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121   -0.0918   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222    1.1081    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8072    2.0145    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4666    0.2706    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5700    0.8955   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -1.1713   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7445   -2.9871   -0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707   -2.4282   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508    1.6553    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905   -0.9328   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    1.2515    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326    1.9803    0.1882 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