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
   -3.2383   -0.4046    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702    0.7347   -0.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    0.7511   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    1.9034   -0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727    1.9386   -0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    0.8564   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963   -0.2864    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -0.3166    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7388   -1.4523    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445   -1.5138    0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7573   -0.7825    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302   -1.2080   -0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2688   -0.0810    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    2.7612   -1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    2.8151   -1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553    0.9324   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988   -1.2116    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -2.3327    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234   -0.7020    0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574   -2.4014    0.7691 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