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
   -2.7289   -1.3498   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262    0.0053   -0.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    0.5455   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0173    1.9126   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189    2.4911    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921    1.6750    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.2822    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674   -0.2263   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585   -0.4983    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -1.7906    0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6156   -1.5773   -1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216   -1.7013    0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -1.9620   -0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    2.5553   -0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    3.5859    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    2.1196    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071   -1.3003   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2961   -0.0075    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190   -2.4086    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421   -2.3504    0.3489 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