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
   -1.7521   -0.9733    0.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    0.0030    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    0.2145    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2240    1.2155   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288   -0.7403    0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102    0.8358   -0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554    0.5487   -0.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.7083   -0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315   -1.7159   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -0.5883   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    0.7098   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760    1.4496    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915    2.6292    0.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514    1.0617    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    0.1779    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384   -1.1059   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1396   -1.4761   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6174    1.9221   -0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2904    1.3540   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -1.6731    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5286   -0.3327    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -1.0138    1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8197    2.0756    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055    0.4516    0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590   -1.8330   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -2.4886   -0.9424 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