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
   -2.8458   -1.2388    0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108   -0.0507    0.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269    0.3538   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084    1.5038   -0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    1.9178   -1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711    1.1876   -0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938    0.0433   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3074   -0.3517    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671   -0.8121    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3161   -0.5289    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890   -2.0475    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8856   -1.4361    1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2216   -1.1086    1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    2.0794   -1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2213    2.8288   -1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609    1.5132   -1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752   -1.2654    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -1.7172    0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950   -1.2097    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051    0.3392   -0.4507 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