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
    2.9772   -0.0069   -0.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    0.2625   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    1.5069    0.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2231    1.4139    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973    2.3270    0.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.0022   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352   -0.5496   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -0.7523    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863    0.1261   -0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.6209   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -1.1369    1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7357   -1.5719   -0.5147 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