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
   -1.0338    1.4307    0.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.4539    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9415    0.2197    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -0.8329   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8578    1.2116    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -0.4560   -0.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.2761   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3080   -0.8653    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -1.2191    1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953   -0.9255    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -0.0658   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7756    0.6697   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4116    0.4390   -1.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577    0.9570   -2.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4606   -0.9912   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -1.5590   -0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070    1.4299    1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7582    2.1944    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9220    0.9215    0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185   -1.0693    1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700   -1.7837    2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6183   -1.4686    0.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    0.0659   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469    1.5193   -1.9382 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