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
    2.7551   -0.3413    0.8973 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993    0.0951    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    1.3924    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656    1.3931    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    2.3972    0.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -0.0065   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.5005    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002   -0.7117   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275    0.1185    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8984   -1.5652   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -0.5041   -1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078   -1.7670   -0.1410 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