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
   -1.7748    1.4287   -0.5838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    0.3491   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6898    0.1105   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1405   -1.0500    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    1.2160   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882   -0.6483    0.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0223   -0.4838    0.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572   -0.6032    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -0.8687    2.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.3711    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1763   -0.1181   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849   -0.1820   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    0.0031   -2.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3820    0.1371   -1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860    0.1383   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390   -0.1171    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570   -0.3709    1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1860   -1.2817    0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225   -1.8079    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6770    0.9268   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578    2.1188    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3575    1.4908   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    0.3384   -2.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5067    0.3367   -1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040   -0.1175    1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -0.5741    2.5111 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