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
3.0845 -0.9449 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9967 -0.3058 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6515 -0.8758 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2627 0.0694 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 1.3573 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1171 2.4946 0.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8019 1.0668 0.0239 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -0.1590 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4544 -1.9387 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 -0.5044 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0056 -1.0072 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 0.7479 0.2670 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