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
    1.3844   -0.8574   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -0.1555   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    0.1490   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314    0.8865    1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704   -0.3777   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5523    0.3160    0.3853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.0571    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -1.0647    0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7201   -1.4521    0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276   -0.6785    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082    0.5781   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548    1.2445   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3936    0.9689   -0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    1.6199   -1.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    1.2555    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668    1.1079    1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6913   -0.4144   -1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101   -1.3889   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9531    0.2956   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6864   -1.7128    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -2.4767    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7651   -1.1073    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7137    1.1318   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    2.0751   -1.4493 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