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
    2.8054   -0.3831    0.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041    0.0795    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    1.3661    0.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722    1.3948    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659    2.3775    0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572    0.0195   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7574   -0.5261    0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809   -0.6535   -0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -1.5613   -0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864    0.1125    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009   -0.4904   -1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892   -1.7355   -0.2739 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