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
   -2.7302   -0.9222   -0.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225   -0.1975   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    1.1204   -0.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    1.3811   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    2.4281   -0.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    0.1222   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023   -0.2249   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289   -0.6892    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653    0.3868   -0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048   -1.1957    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106   -0.4369    1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722   -1.7722    0.4827 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