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
    1.2238   -0.4177   -1.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450    0.0221   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    0.1887    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -0.1160   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    0.7086    1.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    0.3201    0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095    0.1377    0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971   -1.1202    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.7271    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5165   -1.1837   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756    0.1456   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103    1.2200   -0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    1.1901   -0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903    2.2164   -0.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132   -0.4976   -1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9080    0.0183   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530    1.8050    1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692    0.2867    2.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393    0.4764    2.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -1.6806    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524   -2.7811    0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.8133   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6164    0.3851   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2088    2.2164   -0.6536 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