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
   -2.8260    0.9168   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0796   -0.2829   -0.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336   -0.6205    0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4891   -1.2000    1.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529   -0.3261    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.6188    0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031   -0.3202    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412    0.2930   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.5844   -1.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958    0.2997   -1.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4338    1.0339    0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336    1.7770   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041    0.8836   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8594   -1.5173    2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662   -1.4012    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -1.1009    1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997   -0.5551    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868    0.5299   -0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    1.0720   -2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    0.5526   -1.8263 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