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
   -2.8131   -1.2088   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -0.7012    0.7678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    0.3970    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7383    1.5404    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    0.2425    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991   -1.0188    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354   -1.2358    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193   -0.1780   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    1.0684   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0999    1.2738   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5631   -0.4427   -0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911   -2.0516    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   -1.5292   -1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    2.4551   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8178    1.6471    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -1.8452    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549   -2.2391    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -0.3123   -0.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    1.8836   -0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    2.2548   -0.4357 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