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
    1.9550   -1.2486    0.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709   -0.1614   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.1613   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0062    1.3135   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104   -0.8015    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894    0.7257   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587    0.4539   -0.2376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227    1.4004    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8014    2.6265    0.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073    0.7182    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -0.5927   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443   -0.7725   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -1.8493   -0.8399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -1.4565   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169   -1.0207    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6611    0.2932    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    1.1482    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0462    1.5501   -0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    2.0320   -1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0832   -0.5764    1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798   -0.7974   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3494   -1.8529    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -2.4802   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3968   -1.6758    0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6347    0.6752    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6573    2.1876    0.9002 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