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
    2.8355   -0.5750    0.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426   -0.0612    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733    1.2725    0.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    1.4134    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6669    2.4914   -0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    0.0549    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968   -0.2805    0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572   -0.8200   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540   -1.3310    0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421    0.4394    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.7670   -1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994   -1.8370   -0.0076 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