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
    0.6945   -0.6669    1.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628   -0.5644    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716   -0.9382    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -1.3780    1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6201   -0.8430   -0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.0898   -0.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340    0.2700   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -0.7011   -0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220   -0.6366   -1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7752    0.4567   -0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    1.7284   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646    2.2528   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413    1.5940   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0584    2.2495    0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6548    1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295   -1.4697    2.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -0.4383   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.1408   -1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -1.8311   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -1.6742   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4245   -1.5614   -1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8281    0.3035   -1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611    2.3980   -0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1056    3.3354   -0.3191 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