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
   -1.2484   -0.6251   -1.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5435   -0.2409   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -0.2019    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2121    0.2064    1.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.6094   -0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5302    0.1427    0.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    0.1398    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    1.3093   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181    1.6802   -0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    0.9408   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221   -0.3470   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -1.2570    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325   -1.0077    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9801    1.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    0.5112    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2408    0.2463    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3543   -1.6440   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9388    0.0361   -0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8120   -0.5605   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464    2.1075   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449    2.6414   -1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    1.4284   -1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   -0.6548   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383   -2.2619    0.4400 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