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
   -1.4126   -0.4171   -1.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -0.2171    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -0.2549    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796   -0.0446    2.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.5163   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193    0.0267    0.8602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646    0.0758    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    1.3329   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    1.7788   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567    1.0339   -0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -0.3157   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -1.2796   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -1.0932    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415   -2.1313    0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.0555    2.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    0.1494    2.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793    0.4501   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8654   -1.0091    0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477   -1.1199   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    2.1395    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    2.8151   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069    1.5995   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948   -0.6783   -0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -2.2691   -0.1209 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