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
   -0.8989   -0.4278   -1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002   -0.1012   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584   -0.0380   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371    0.3085    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326   -0.3755   -1.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    0.2024    0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    0.1421    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674    1.2872   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    1.4731   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    0.7198    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888   -0.5127    0.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -1.3637    0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816   -1.0678    0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956   -2.0650    0.7927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574    0.5482    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195    0.3576    0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7742   -0.6513   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -1.2819   -2.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528    0.4385   -2.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7669    2.1876   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585    2.2498   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    1.1567    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.7933    1.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -2.3934    1.0717 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