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
    1.5693   -2.4846   -0.3097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805   -1.2904   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8268   -0.1210   -0.4512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247    0.9510   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659    2.1680   -0.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686    0.4185   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    0.9809   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -0.8678    0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4758    0.5418    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    1.9319   -0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640   -1.6056    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -0.6228    1.6734 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