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
   -2.8510   -0.6943   -0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735   -0.7879    0.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049    0.2443    0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336    1.3000    1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2961    0.0903    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.0296    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    0.8444    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324   -0.2921   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996   -1.2609   -0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6904   -1.0637   -0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4118   -1.6693   -0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    0.1063   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3285   -0.4806   -1.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081    1.3430    1.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053    2.1104    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804    1.9647    1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160    1.6199    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9927   -0.3916   -0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221   -2.1629   -1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -1.8497   -0.5865 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