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
   -0.7528    0.8745    1.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4095    0.2488    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752    0.2436    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    0.8884    1.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5815   -0.5129   -0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -0.4211   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -0.3566   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -1.3364    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6839   -1.4731    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -0.4605    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5239    0.7837   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221    1.2316   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    0.6782   -1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    1.1459   -2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0008    1.4325    2.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987    0.8604    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645   -1.5978   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919   -0.4121   -1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6324   -0.1804   -0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029   -2.1038    0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -2.4789    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418   -0.6859    1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380    1.4824    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    2.1499   -1.4729 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