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
   -2.9874   -0.6264   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827   -1.1144   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268   -0.2933    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5915    0.2332    1.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3609   -0.0462    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213    0.7546    1.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569    0.9574    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    0.3968   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -0.4071   -1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9312   -0.6271   -0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8088    0.2519   -1.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5918   -0.2375    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618   -1.4223   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536    0.8716    2.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6545   -0.0013    1.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    1.2383    2.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    1.5889    1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    0.5892   -0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214   -0.8415   -1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606   -1.2647   -1.4205 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