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
   -1.0583    1.2439    1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    0.3827    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    0.1896    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674   -0.7288   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9387    1.0180    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212   -0.3875   -0.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523   -0.3161   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208    0.5332   -1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654    0.8567   -1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658    0.3853   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421   -0.6841    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -1.3290    1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3376   -1.1242    0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078   -1.8106    1.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.3217   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4262   -0.8868   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571    1.3586    1.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2112    1.8479    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8453    0.4161    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    1.0498   -1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797    1.5163   -1.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    0.9144   -0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001   -1.0716    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876   -2.0519    1.7972 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