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
    1.1608   -0.9833    1.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294   -0.1743    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    0.0135    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762    0.8385   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318   -0.7575    0.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279    0.5047   -0.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    0.2524    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    1.0519    1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386    1.3125    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7832    0.6876    0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.5740    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -1.1891   -0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329   -0.7655   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -1.3919   -1.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9783   -1.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.4389   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706   -0.3774    0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -0.6614    1.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8543   -1.8349    0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    1.5388    1.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160    2.1438    1.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7341    1.1929    0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7238   -1.1011    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0073   -2.1432   -0.8473 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