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
    1.0132    0.3564    1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.2135    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    0.3071    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    0.5356    1.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452    0.1432   -1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -0.0267   -0.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -0.1086   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734    1.0647   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449    1.2260   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299    0.3024   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -0.9322    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466   -1.6791    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -1.3763   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -2.3286   -0.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2948    0.6554    2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    0.6027    1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.6561   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969   -0.9157   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383    0.5739   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064    1.9631   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343    2.1983   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8555    0.5288   -0.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4677   -1.3418    0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700   -2.6184    0.9712 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