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
   -1.7686   -2.2474    0.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801   -1.1499    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8815    0.1043    0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8853    1.0755    0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219    2.3437    0.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    0.3943    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    0.8547    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -0.9185   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    1.8244    0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    0.2241    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609   -1.7076   -0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -0.7976   -1.6451 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