Monomers
Itaconic anhydride
Identifiers
IUPAC name
3-methylideneoxolane-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InchI Key
OFNISBHGPNMTMS-UHFFFAOYSA-N
SMILES
O=C1OC(=O)C(=C)C1
Canonical SMILES
C=C1CC(=O)OC1=O
Isomeric SMILES
C=C1CC(=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
-1.7686 -2.2474 0.4932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2801 -1.1499 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8815 0.1043 0.2234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 1.0755 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0219 2.3437 0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 0.3943 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 0.8547 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0282 -0.9185 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7891 1.8244 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 0.2241 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7609 -1.7076 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1924 -0.7976 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
8 2 1 0
7 9 1 0
7 10 1 0
8 11 1 0
8 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers