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
   -3.0740    0.8714    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834   -0.1516   -0.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302   -0.3937   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780   -1.3944   -1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3592   -1.6683   -1.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548   -0.9506   -0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    0.0445    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    0.3075    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9952    0.8359    0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2977    0.6646    0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7115    1.8591    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667    0.9569    0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6446    0.7109    1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607   -1.9473   -1.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -2.4583   -2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003   -1.1945   -1.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    1.0951    0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    1.6038    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735    1.2833    1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -0.0744    0.0042 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