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
    1.2688   -1.4158    0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654   -0.2066    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444    0.2386    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1972    1.5074   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104   -0.7942    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    0.6933   -0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    0.2581   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647    0.2336    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152    0.3005    1.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7955    0.1268    0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7460   -0.3970   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -0.5804   -1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3506   -0.1121   -1.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    0.0058   -2.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    2.2104   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2091    1.8530   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735   -0.3441    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993   -1.3088   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459   -1.4962    0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7062    0.1529    2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0035    0.5217    2.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7748    0.4156    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6823   -0.6980   -1.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484   -1.1647   -2.4386 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