Monomers

Benzene, (1-methoxyethenyl)-

Identifiers

IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
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
2.3037
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
   -2.9598    0.7483    0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9937    0.1314    1.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0571   -0.7020    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -1.8779   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040   -0.2477    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3159   -0.9607   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180   -0.4602   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9327    0.7880    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9401    1.5162    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537    1.0163    0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930   -0.1246   -0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7226    1.2941    0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469    1.3522   -0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622   -2.1770    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045   -2.5151   -0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -1.9432   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748   -1.0839   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    1.1598   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    2.4960    1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    1.5898    1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers