Monomers

Citraconic anhydride

Identifiers

IUPAC name
3-methylfuran-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3
InchI Key
AYKYXWQEBUNJCN-UHFFFAOYSA-N
SMILES
O=C1C=C(C(=O)O1)C
Canonical SMILES
CC1=CC(=O)OC1=O
Isomeric SMILES
CC1=CC(=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
    3.1996   -0.5253    0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0171   -0.0972    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.8212   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715    0.0074   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.3618    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    2.3888    0.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    1.2503    0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7288   -0.3517   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -1.8951   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956    0.4837   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -1.2518   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -0.5497    1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  1  0
  7  2  1  0
  3  9  1  0
  8 10  1  0
  8 11  1  0
  8 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers