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
    2.9645   -0.0920   -0.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506    0.2479   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    1.5073   -0.0777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909    1.4088    0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128    2.3531    0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -0.0027    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354   -0.5194    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381   -0.7475   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340    0.1063    0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -1.5888    0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8457   -1.6350    0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388   -1.0380   -1.4393 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