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
    3.5047    1.3557   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418    0.3100    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761   -0.5466    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.2677   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    1.0935   -1.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -0.6912    0.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778   -0.7247   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767   -1.4635   -1.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089   -1.4762   -1.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6515   -0.7559   -0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -0.0171    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873   -0.0013    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200    0.7565    1.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    1.4186    2.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937    0.8065    2.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190    2.2294   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    1.5951    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0013    0.9538   -1.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284   -0.4855    1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -1.3419    1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.0302   -1.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0019   -2.0643   -2.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829   -0.8021   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9495    0.5314    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1637    1.0823    2.9982 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