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
    2.7927   -0.1032    0.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.2456    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573    1.5149    0.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.4173   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    2.3645   -0.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5658   -0.0037   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -0.5727    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273   -0.6926   -0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8110   -1.6465    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    0.0106    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567   -1.7060    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9007   -0.8283   -1.3898 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