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
   -1.1273    0.9122    0.8445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    0.0917   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796   -0.0522   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2481   -0.9083   -1.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8719    0.7565    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.6527   -0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198   -0.4185   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -1.1917    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544   -1.1753    1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389   -0.2326    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    0.7607    0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765    1.0607   -0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.5693   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751    1.0925   -1.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2757   -1.0799   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -1.4841   -1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481    0.8761    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030    0.3304    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029    1.7888   -0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6033   -1.9279    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636   -1.9742    2.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732   -0.2715    1.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    1.3977    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    1.7323   -1.6078 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