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
   -0.9142    0.4968    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4455    0.0876    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877    0.0514   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4349   -0.3812   -1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    0.5066    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405   -0.3357   -1.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -0.2689   -0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    0.9258   -1.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5149    1.4497   -0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.7412   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878   -0.6276   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941   -1.5984   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -1.3773   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -2.3515    0.0365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -0.7103   -2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103   -0.4003   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084    0.5214    2.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829   -0.1267    1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    1.5697    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747    1.5395   -1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    2.5263   -0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    1.3418   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -0.9646    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101   -2.6152    0.1904 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