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
    1.3936   -1.5841   -0.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.4761   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9939    0.0005    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263   -0.7883   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212    1.3480    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.3096   -0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.0902   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    0.3962   -1.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944    0.2692   -1.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7261   -0.0202   -1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -0.2988    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   -0.6064    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3751   -0.4791    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -0.9455    1.6931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -1.7790   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0495   -0.4928    0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058    2.1001    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480    1.6609    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822    1.3538    1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611    0.8147   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    0.4117   -3.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -0.0179   -1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7871   -0.2699    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -0.9964    1.9278 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