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
    2.1409   -1.3059    1.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372   -0.4477    0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703    0.8642    1.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134    1.2771    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632    2.4169    0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    0.1602   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.0112   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170   -0.7038   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5074    0.6877   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571   -0.8771   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -0.2939   -1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4553   -1.7665   -0.5268 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