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
   -3.5862   -0.5806    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -1.0158    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408   -0.2551    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1569    1.0859   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    1.7774   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2392    1.1112   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955   -0.2255    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0745   -0.8918    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -0.9355    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344   -0.3833    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8087    0.3209    0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2303   -1.3895    0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805   -0.4643   -0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1091    1.5710   -0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309    2.8408   -0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    1.6858   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534   -1.9416    0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -2.0009    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -0.9538    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344    0.6449   -0.1223 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