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
    1.3761   -1.6961   -0.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.4725   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507    0.0005   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -0.8757   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    1.4457   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887    0.4181   -0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7415    0.0201   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -0.2065    1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   -0.3535    1.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892   -0.0875    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8013    0.0857   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6820   -0.0823   -1.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395   -0.1197   -1.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139   -0.3040   -2.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132   -1.9368   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374   -0.5336   -0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    1.9453    0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261    1.9453   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638    1.6329    0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011   -0.2736    1.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -0.7226    2.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7633    0.0025    0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350    0.3681   -1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163   -0.1999   -2.6951 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