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
3.0543 -1.0155 -0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 -0.3579 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6243 -0.9053 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2624 0.0559 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4715 1.2838 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0513 2.4107 0.5056 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 0.9934 0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 -0.0987 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4131 -1.9517 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 0.2936 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9815 -1.1777 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 0.4694 0.8367 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