Monomers

Poly(2-((7-oxo-1,3,5-cycloheptatrien-1-yloxy)carbonyl)-2-methylethylene)

Identifiers

IUPAC name
(7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
InchI
InChI=1S/C11H10O3/c1-8(2)11(13)14-10-7-5-3-4-6-9(10)12/h3-7H,1H2,2H3
InchI Key
BHKQCZGFIQOMFC-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Oc1cccccc1=O
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=CC1=O
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.5283
H Bond Acceptors
3
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

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.5652    0.5788    1.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399    0.2421    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    0.3364    0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307    0.7707    1.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7105   -0.0558   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967   -0.2164   -0.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -0.2566   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    0.8795   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270    1.2682   -0.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760    0.5268   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715   -0.8640   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671   -1.6985   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -1.4201   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155   -2.3326    0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459    1.0594    2.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147    0.8487    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   -0.8187   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9504    0.8301   -0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348   -0.5290    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.5284   -1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558    2.3125   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4555    1.0607   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6496   -1.2907   -0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8068   -2.7600   -0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13  7  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers