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
    0.7411    1.1516   -0.9005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    0.3727   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350    0.4740   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4664    1.3327   -0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.4457    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -0.5452    0.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736   -0.5384    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533   -1.3656   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601   -1.3469   -0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5227   -0.3642   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.4880    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831    0.6861    1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    0.2985    1.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238    0.7836    2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324    1.4137   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    1.9929   -1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626   -1.4160    0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353   -0.5404    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295   -0.0846    1.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791   -2.1182   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8363   -2.1928   -1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2674   -0.2946   -1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112    1.0786    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    1.1801    2.3545 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