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
   -1.1851    0.4516   -1.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    0.1846   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    0.1143   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9006    0.3447   -1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -0.2073    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165   -0.0588    0.4537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -0.0027    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    1.1929    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7663    1.4579    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109    0.5466    0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357   -0.8205   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339   -1.5788   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885   -1.1928   -0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624   -2.0403   -0.6984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146    0.5792   -2.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9613    0.3088   -0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -0.0412    2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7672   -1.2456    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2744    0.4433    1.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    2.0266    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    2.5013    0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7846    0.9922    0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6550   -1.3690    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583   -2.5871   -0.6559 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