Monomers

2-((2-Methyl-1-oxo-2-propenyl)oxy)benzoic acid

Identifiers

IUPAC name
2-(2-methylprop-2-enoyloxy)benzoic acid
InchI
InChI=1S/C11H10O4/c1-7(2)11(14)15-9-6-4-3-5-8(9)10(12)13/h3-6H,1H2,2H3,(H,12,13)
InchI Key
QFPKSTNFHFEHJL-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Oc1ccccc1C(=O)O
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=C1C(=O)O
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=C1C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O4
Heavy Atom Count
15
Molecular Weight
206.197
Exact Molecular Weight
206.0579
Valence Electrons
78
Radical Electrons
0
tPSA
63.6
MolLogP
1.8663
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.1528    1.2145    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561   -0.1757    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4902   -1.1715    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   -0.4822   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478   -1.6663   -0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3428    0.5378   -0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    0.2167   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444    0.0285   -1.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -0.2923   -2.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6068   -0.4209   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592   -0.2373    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404    0.0827    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306    0.2839    1.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421    0.1549    2.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293    0.6018    2.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076    1.3103   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.6020    1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.8687   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774   -2.2114    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -0.9543    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7364    0.1422   -2.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -0.4378   -3.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6587   -0.6745   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439   -0.3458    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.0261    2.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  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 15  1  0
 12  7  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 15 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers