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
   -1.2547   -1.0567    1.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -0.4330    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9970   -0.3695   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066   -0.9609    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.3694   -1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    0.1753   -0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449    0.1219   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.1163    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    1.6117    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    1.0821    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   -0.1778   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729   -1.1666   -0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -0.9351   -0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508   -1.7955   -1.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6131   -1.4965    1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.9422    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0521    1.2102   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4936    0.7944   -1.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9043   -0.2940   -1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337    1.5572    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146    2.4703    1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869    1.7520    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   -0.4535   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063   -2.1796   -0.5474 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