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
    0.2988   -1.6226    0.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232   -0.8051    0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232   -1.1281    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182   -2.2919    1.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623   -0.1347    0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543    0.4145   -0.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4936    0.6751   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315    0.3022   -1.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    0.0818   -1.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4508    0.4423   -1.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5223    1.2344   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4924    1.5189    0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    1.2863    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175    1.6674    1.6925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   -2.5580    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -2.9874    1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922   -0.0068   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021    0.8881    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598   -0.4053    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228    0.1562   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -0.4099   -2.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3813    0.0257   -1.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5012    1.6509    0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036    2.0057    1.7308 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