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
   -1.0257   -1.8320    0.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5248   -0.6980    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9557   -0.5019   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7459   -1.5459   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    0.8572   -0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6807    0.3679   -0.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894    0.3256    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    0.1077   -1.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231    0.0051   -1.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423    0.0999   -0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6805    0.4365    0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.5250    1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    0.4971    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    0.6577    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3449   -2.5245    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8094   -1.4078   -0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5521    0.8078   -0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185    1.4686    0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8899    1.3663   -1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521   -0.0068   -2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0084   -0.1660   -2.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376   -0.1285   -0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    0.6676    1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8183    0.6213    2.7105 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