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
    3.0925   -0.6004   -0.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.1064   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110   -0.7955   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710    0.0707    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3156    1.3728    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    2.4198    0.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    1.2397    0.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971   -0.3282   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -1.8699   -0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -1.0747    0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946    0.5120    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -0.8399   -1.0268 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