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
   -0.6485   -0.7899    1.5834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870   -0.2461    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8339   -0.1822    0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099   -0.7058    1.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    0.4773   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337    0.3027   -0.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    0.2365   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    1.2745    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301    1.4541   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    0.6212   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850   -0.7051   -0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096   -1.3635   -1.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199   -0.8722   -1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560   -1.5653   -1.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -1.1785    2.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4732   -0.6597    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475    1.4420   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7357   -0.1502   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6456    0.7415    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    2.0459    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    2.4284    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    1.0417   -0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962   -1.2870   -0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5253   -2.3602   -1.6626 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