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
    3.0583   -1.1079   -0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -0.4435   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -0.9337   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614    0.0532    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    1.2748    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    2.4374    0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752    0.9471    0.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432   -0.0400   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -1.9890   -0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1765    0.9738    0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -0.6307    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1164   -0.5415   -0.9525 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