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
   -1.1258    1.1683    1.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5156    0.4230    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166    0.3067   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021   -0.4834   -1.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121    1.0662    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.2883   -0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -0.2174   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   -1.1588    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -1.6465    0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6671   -1.1638    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154    0.0994   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335    0.9718   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4799    0.7412   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436    1.4799   -1.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948   -1.0597   -1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3598   -0.5846   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1303    2.0129    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8607    0.5162    0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5244    1.3517    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4955   -1.5513    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6719   -2.5054    1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   -1.8391    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    0.4021   -0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.9589   -1.0618 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