Monomers

2-[(2-Methylacryloyl)oxy]-1H-isoindole-1,3(2H)-dione

Identifiers

IUPAC name
(1,3-dioxoisoindol-2-yl) 2-methylprop-2-enoate
InchI
InChI=1S/C12H9NO4/c1-7(2)12(16)17-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6H,1H2,2H3
InchI Key
QKTOEXNMNPTDSF-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)ON1C(=O)c2c(C1=O)cccc2
Canonical SMILES
CC(=C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
Isomeric SMILES
CC(=C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H9NO4
Heavy Atom Count
17
Molecular Weight
231.207
Exact Molecular Weight
231.0532
Valence Electrons
86
Radical Electrons
0
tPSA
63.68
MolLogP
1.3169
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.6617   -1.1084   -1.4649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -0.3875   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6306   -0.3056   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3851   -0.9928   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2707    0.5669    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152    0.3314    0.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    0.2415    0.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237   -0.9320    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2675   -2.0930    0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -0.5707    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895    0.7989    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    1.3373    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.5738    0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183    1.4675    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054    0.7744   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304   -0.6014   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213   -1.2646   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9473   -1.6226   -2.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4581   -0.9336   -1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6720   -0.0277    1.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0837    1.1152   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5111    1.2505    0.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.5481    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523    1.3059   -0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -1.1310   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580   -2.3405   -0.1432 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  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 12  7  1  0
 17 10  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  5 22  1  0
 14 23  1  0
 15 24  1  0
 16 25  1  0
 17 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers