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
    3.6782    1.0319    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774   -0.0257    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -1.2989    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    0.3228   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886    1.5296   -0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -0.6275   -0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344   -0.2646   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    0.0298   -1.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8548    0.3885   -2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748    0.4452   -0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761    0.1499    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -0.2064    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298   -0.5166    1.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.4493    2.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -0.8761    2.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584    2.0311    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962    0.8587   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    1.0590    1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449   -1.5576    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   -2.0954   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -0.0139   -2.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320    0.6180   -3.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7269    0.7280   -1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8161    0.1947    1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -1.4553    2.8437 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