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
   -1.1709    1.3764   -0.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482    0.2412    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464   -0.0855    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3205   -1.2763    0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    0.9489   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -0.6919    0.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8023   -0.3766    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1370    1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473    0.4823    1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    0.2960    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391   -0.0948   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323   -0.4628   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3342   -0.6014   -1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.0015   -2.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610   -2.0226    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -1.5674    0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9867    0.5626   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8728    1.7132    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193    1.4570   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    0.2736    2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988    0.9767    2.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.4982    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6896   -0.1103   -1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544   -0.6719   -2.6720 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