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
   -1.1201    1.1846    0.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.3224    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9488    0.0404   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   -0.8849   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9732    0.7961    0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985   -0.3970   -0.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585   -0.2085   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152    0.6985   -1.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    1.1443   -1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    0.5250   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908   -0.6960    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -1.3247    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.9951    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5818   -1.4832    1.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6060   -1.4480   -1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3784   -1.1032   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6811    1.3112   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4856    1.6015    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5669    0.1163    1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7870    1.1117   -2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319    2.0748   -1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.0193   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7623   -1.2023    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214   -2.2032    1.1810 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