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
    1.0747   -1.3203    0.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.2725    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.0504    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3753    1.0413   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767   -1.0869    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    0.6480   -0.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805    0.3686    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2243    0.8432    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143    0.8799    1.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    0.4929    1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798   -0.2878   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979   -0.6444   -0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648   -0.3043   -0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -0.6669   -1.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666    1.7822   -0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221    1.2482   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -1.4004    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9182   -0.7061    0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946   -1.9667   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980    1.2485    1.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6717    1.2432    2.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944    0.8534    1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7530   -0.6675   -0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.2753   -1.8027 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