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
   -0.9200   -1.0885   -1.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -0.3303   -0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042   -0.1808   -0.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615   -0.8265   -1.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    0.7172    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7118    0.3577    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886    0.2325    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.1145   -0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    1.3568   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948    0.5728    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -0.7076    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -1.2599    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   -0.7620    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017   -1.2589    1.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -0.7387   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -1.4994   -2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    1.3055    0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575    0.1356    0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2382    1.3823   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    1.6847   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406    2.2883   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8004    1.0109    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522   -1.2966    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -2.2095    1.5298 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