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
   -1.0765   -0.7952   -1.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -0.2290   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568   -0.1317   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150   -0.6341   -1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4154    0.5469    1.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    0.2920    0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    0.2155    0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3158    1.2728   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    1.4775   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678    0.5390   -0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829   -0.8019   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -1.4243    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -0.8811    0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019   -1.4562    1.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330   -1.1161   -1.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8677   -0.5424   -0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    0.3341    1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480    1.6459    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    0.1794    1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    2.0449   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308    2.4568   -1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399    0.8749   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3513   -1.4505   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8366   -2.4171    0.7053 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