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
   -0.9685    1.2023    0.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    0.3254    0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8845    0.1667    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4027   -0.7557   -0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7873    1.0747    0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -0.5284   -0.5349 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.4040   -0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -1.1529    0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -1.4352    0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -0.6901    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    0.4475   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444    0.9946   -1.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    0.4526   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    0.8066   -2.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660   -1.4349   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4666   -0.8889   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.4192    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.8939    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5052    1.5145   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6713   -1.5730    1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -2.3260    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942   -1.0352    0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    1.0273   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    1.8989   -1.8196 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