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
    1.0509   -0.6513   -1.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -0.2919   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9288   -0.3330    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    0.0598    1.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642   -0.8165   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    0.1543    0.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7826    0.2118    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311    1.3935   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022    1.8061   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436    1.0560   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012   -0.1993    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405   -1.1283    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -0.9253    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584   -1.9093    1.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3904    0.0391    1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    0.4145    1.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4129   -1.5565   -1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726   -1.2897   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2312    0.0890   -1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    2.1650   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695    2.8019   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5328    1.5119   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8294   -0.4759    0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -2.1255    0.7749 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