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
   -1.9105   -1.5197   -0.5592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925   -0.3411   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114   -0.0367   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5835   -0.9601   -0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1343    1.3650   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352    0.5813    0.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113    0.3322    0.1114 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247    1.2264   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9018    2.3642   -0.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    0.6201   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -0.6126    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283   -0.8309    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848   -1.8568    1.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245   -1.4405    0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4056   -0.9988    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    0.2221    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    1.0525   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -1.9641   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458   -0.7803   -0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2351    1.4874   -0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923    2.0074   -0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312    1.6187    0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147   -2.4134    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160   -1.6749    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6721    0.5349   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697    2.0174   -0.7237 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