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
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
3.1190 -0.8115 -0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9967 -0.2076 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 -0.8461 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 0.0512 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 1.3595 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2061 2.4803 0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 1.1589 0.0154 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7571 -0.2311 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5414 -1.9251 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0098 -0.7384 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 0.6932 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9186 -0.9833 -0.7711 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