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
    0.6755    0.3679    1.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754    0.2781    0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    0.4769    0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789    0.7492    1.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    0.3792   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011   -0.0094   -0.6480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -0.1947   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394   -1.4877   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837   -1.9681   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4644   -1.1879    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579    0.1659   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8135    1.0796   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    0.9240   -0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418    1.9144   -1.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601    0.8215    2.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370    0.9070    1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341    1.3158   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7398    0.3237   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -0.4948   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.2263   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237   -3.0409   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2524   -1.6878    0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5940    0.5823    0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396    2.0122   -1.0072 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