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
    3.0824    0.4417    0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530   -0.7394    0.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998   -0.7899   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886   -1.9473   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -1.9947   -0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518   -0.8741   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9618    0.2795   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    0.3001    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444    1.4739    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0121    1.5045   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    0.5718    1.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035    0.3476    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102    1.3497    0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -2.8024   -0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087   -2.8703   -1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -0.9180   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058    1.2276    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    2.3617    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5425    0.6846   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881    2.3935    0.1139 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