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
   -0.3301    1.3744   -1.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514    0.4903   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    0.4351   -1.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8718    1.3285   -2.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -0.6222   -1.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262   -0.4397    0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -0.3873    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    0.3735    1.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761    0.6562    2.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602    0.1790    2.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779   -0.4824    1.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409   -1.1152    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -1.1066   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043   -1.8013   -1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691    2.1151   -2.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334    1.3709   -2.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2184   -1.0456   -0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4729   -1.4510   -1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697   -0.1513   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647    0.8079    2.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    1.3142    3.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.3651    3.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.5209    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4104   -1.6868   -0.6054 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