Monomers

Itaconic anhydride

Identifiers

IUPAC name
3-methylideneoxolane-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InchI Key
OFNISBHGPNMTMS-UHFFFAOYSA-N
SMILES
O=C1OC(=O)C(=C)C1
Canonical SMILES
C=C1CC(=O)OC1=O
Isomeric SMILES
C=C1CC(=O)OC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H4O3
Heavy Atom Count
8
Molecular Weight
112.084
Exact Molecular Weight
112.016
Valence Electrons
42
Radical Electrons
0
tPSA
43.37
MolLogP
0.0161
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.1171   -2.7321    1.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053   -1.6220    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5847   -0.8969    0.5459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3242    0.4458    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    1.4111    0.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0994    0.5428   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    1.6286   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960   -0.8455   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    1.5587   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827    2.5978    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5637   -1.0481   -0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770   -1.0402   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  2  1  0
  7  9  1  0
  7 10  1  0
  8 11  1  0
  8 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers