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
3.1573 -0.7275 0.1897 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0065 -0.1848 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7144 -0.8460 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2655 0.0380 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3399 1.3594 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3038 2.4451 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 1.1724 0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7290 -0.2947 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6233 -1.9220 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 0.6473 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 -1.0774 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1098 -0.6098 0.8473 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