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
    0.9927   -0.5960    1.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836   -0.1774    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196   -0.0575    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906   -0.3855    1.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5749    0.4313   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    0.1609   -0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127    0.0792   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -1.1068   -0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751   -1.4698   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6962   -0.6808   -0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861    0.6001   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749    1.4472    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    1.1908    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6887    2.1223    0.5729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769   -0.3159    1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -0.7400    2.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    1.5178   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5224   -0.1304   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584    0.2564   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -1.8988   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474   -2.4706   -1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6207   -1.1706   -1.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7892    0.9958   -0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    2.3986    0.5453 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