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
    1.0850   -1.5509   -0.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078   -0.4295    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   -0.1686    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    1.0210    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8778   -1.2528    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    0.5841    0.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    0.4364   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406    0.6990   -1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4118    0.6815   -1.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5962    0.3630   -1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254   -0.0409    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941   -0.2402    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354    0.0506    0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807   -0.0353    2.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    1.2148    0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    1.8113    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286   -1.7610   -0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6877   -1.9715    1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076   -0.8533    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    0.9539   -2.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584    0.9431   -3.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5040    0.4466   -1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530   -0.2282    0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453   -0.6732    1.9448 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