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
    1.0481    0.7339    1.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472   -0.0724    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -0.3364    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -1.1710   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    0.3160    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337   -0.6776   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018   -0.3425   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5104   -1.1311    0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369   -0.9900    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.0185    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539    1.2132    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3929    1.5171   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540    0.7496   -0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    1.1301   -1.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -1.6567   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3351   -1.3958   -0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0967   -0.3604    2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    0.6003    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4104    1.2377    1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045   -1.9646    1.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705   -1.7878    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7526   -0.0901    0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1658    2.0206    0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    2.4396   -1.2933 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