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
    1.2029    0.1629   -1.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.0854   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -0.2191    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2256   -0.4765    1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   -0.0576   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -0.2233    0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -0.0853    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -1.2125   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8282   -1.3630   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7055   -0.3463   -1.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5045    1.0225   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119    1.6869   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530    1.2047    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472    1.9919    0.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -0.5690    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391   -0.5958    2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    1.0270   -0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   -0.4211   -1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595   -0.6652   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062   -2.0871   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093   -2.3696   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6764   -0.6646   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785    1.6030   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    2.7426   -0.2742 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