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
   -0.5124    1.5452    0.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035    1.2286    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7195    2.1532    1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    3.3168    1.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439    1.7871    0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749   -0.0242    0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778   -0.8673   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844   -1.7274    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511   -2.4670    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488   -2.6527   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6705   -1.9288   -1.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216   -1.1109   -2.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4988   -0.7504   -1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -0.2517   -2.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531    3.5833    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    4.0377    1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998    1.9126    1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    0.7234    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    2.4363    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0478   -1.8388    1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391   -2.9776    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3952   -3.4252   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995   -2.0015   -2.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565   -0.7008   -3.1598 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