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
    3.0823   -0.9247    0.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.3066    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -0.8994    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    0.0450   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    1.3318   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    2.4818   -0.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825    1.0660    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.1905   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -1.9927    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079   -1.1162    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1798    0.6562    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706   -0.1505   -1.1054 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