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
   -2.9468   -0.1764   -0.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455    0.1686   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999    1.4184    0.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    1.3783    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806    2.3554    0.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    0.0189    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914   -0.4374    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965   -0.7523   -0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    0.1761    0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -1.4691    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -0.9965   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -1.6840    0.1659 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