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
   -1.2018   -1.1448   -1.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -0.4665   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.3995   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9038   -1.0186   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4344    0.4069    1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297    0.1933    0.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.1337    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678   -0.8826    0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -1.0924    0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -0.1631    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    1.0215   -0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.5250   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    1.0994   -0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911    1.6512   -1.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5967   -1.6021   -1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9488   -0.9634   -0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885   -0.0383    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5314    0.4859    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157    1.4488    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.6235    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -2.1179    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923   -0.4053    0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827    1.6151   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    2.3372   -1.5542 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