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
    1.3768    2.6876   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579    2.1306   -0.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    0.7603   -0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.4943   -2.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -0.2477   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419   -1.5901   -0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830   -2.5578    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070   -2.1884    1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.8550    2.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460    0.0832    1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    2.5766   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771    2.1740    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496    3.7752   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3634   -0.5371   -2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6269    1.2699   -2.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -1.9684   -1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -3.6077    0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727   -2.9550    2.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436   -0.5670    3.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352    1.1226    1.5714 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