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
   -0.8246    1.5205    0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    0.4138    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574    0.2695    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4077   -0.9090    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    1.5001   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741   -0.7620    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024   -0.6662    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -0.7106   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -0.5629   -1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -0.0700   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   -0.0100    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994   -0.2146    1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289   -0.5392    1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -0.7605    2.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990   -0.9847    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7911   -1.8123    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    1.9309   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7118    1.3814    0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1984    2.2987    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384   -0.8849   -1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773   -0.8622   -2.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    0.3185   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4978    0.2246    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -0.1088    2.9590 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