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
   -3.2081    1.0039   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    1.0487   -0.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -0.1190    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045   -1.2449    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119   -0.0711    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.1384   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    1.1710   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2106    0.0390   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -1.1632    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1812   -1.1943    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6673    1.9809   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    0.5422    0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132    0.2933   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871   -2.1684    0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986   -1.2372    0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    2.0609   -0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    2.1322   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942    0.0541   -0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -2.0805    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614   -2.1859    0.2934 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