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
   -3.3587    0.7019   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128    1.1412   -0.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769    0.2162    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -1.1362    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592   -2.0058    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -1.5502    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -0.1937    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404    0.6536    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    0.2604    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124    1.5286   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5197   -0.1958   -0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145    0.4548    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150    1.5478   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127   -1.5185    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956   -3.0833    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549   -2.2636    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829    1.7260   -0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -0.4678    0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106    2.3456   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1559    1.8386   -0.0041 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