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
    2.2178    0.2120    1.9004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518    0.3323    0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    1.5112    0.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    1.3488   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119    2.1526   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968   -0.0392   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -0.5558   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356   -0.7495    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.0008   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -1.6073   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -1.6296    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087   -0.9762   -0.7440 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