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
   -2.9841    1.1428    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6143   -0.1355    0.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -0.5088    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186   -1.8003   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572   -2.1675   -0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -1.2389   -0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099    0.0498   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011    0.4005    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229    1.0932   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    0.8473   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    1.7240    0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2376    1.6581    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9150    1.0455    1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -2.5166   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -3.1795   -0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964   -1.5322   -0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    1.4287    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    2.1041    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -0.0950   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9715    1.6803   -0.4247 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