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
    1.2409    0.1157    1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    0.1744    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    0.3338   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    0.3883   -1.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.4243    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4930    0.0839   -0.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -0.0658   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320    1.0846   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8344    1.2370    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    0.2600    0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921   -1.1121    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647   -1.8411    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2454   -1.3659   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -2.2708   -0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    0.3198   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    0.5053   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    0.1244    0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.4939    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7284   -0.2008    1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    1.9764   -0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745    2.2557    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8019    0.6315    0.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573   -1.6484    0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712   -2.9041    0.4465 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