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
   -1.0950   -0.9504    1.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5359   -0.3033    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740   -0.1898    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959   -0.7591    1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571    0.5788   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221    0.2669   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584    0.1518   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3478    1.1477    0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    1.4882    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7729    0.7359    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506   -0.5999   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -1.3259   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -0.9159   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547   -1.6261   -1.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674   -1.3270    2.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8596   -0.6646    1.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    1.5091   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    0.8087   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3654   -0.0262   -1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979    1.7231    1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499    2.4526    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421    1.2495    0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919   -1.1262    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -2.2980   -1.0065 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