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
    3.0690    0.9291    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8630    0.6602    0.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -0.3803    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976   -1.5405    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3682   -0.1517    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    1.1142    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545    1.3188    0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953    0.3160   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868   -0.9253   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253   -1.1152   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    1.7659    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    0.0333    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1398   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -2.4001   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652   -1.6910    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    1.8724    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6285    2.3183    0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1423    0.5489   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -1.6923   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718   -2.1204   -0.3836 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