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
   -1.1748   -1.0422   -1.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -0.3822   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -0.3019    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2977    0.4056    1.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9350   -1.0274   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    0.2756    0.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562    0.1758    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608    1.1517   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    1.6262   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    1.1444   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642   -0.0311    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210   -0.9174    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443   -0.8418    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -1.8059    1.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736    0.9375    2.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3348    0.4633    1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8694   -0.4421   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1141   -2.0143    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356   -1.2294   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    1.6048   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    2.5190   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5153    1.7552   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060   -0.2346    0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343   -1.7890    1.2333 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