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
    3.3218    0.7399    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947    1.2133    0.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776    0.2664   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182   -1.0849    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -2.0197    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.5640   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038   -0.2064   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538    0.6647   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    0.2100   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441    1.4572   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    1.6176    0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -0.0057    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    0.3230   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471   -1.4357    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876   -3.0953    0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021   -2.2906   -0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5151    1.7319   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5691   -0.5579   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008    1.7461   -0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644    2.2901   -0.2240 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