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
    1.5825   -1.3725    0.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669   -0.4993   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -0.4962   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194   -1.4067    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    0.5504   -0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    0.4533   -0.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0526    0.4149   -0.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358    1.4723   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    2.6550   -0.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    0.9631   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145   -0.3926   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -0.7712   -0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162   -1.9350   -1.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701   -1.1203   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781   -0.5170   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286    0.8296   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3917    1.6041   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8631   -2.1860    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3972   -1.3975    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709    0.3925   -2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    1.5764   -0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815    0.5252   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -2.1816   -1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4014   -1.0744   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5060    1.2612   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710    2.6523    0.0710 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