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
0.1171 -2.7321 1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4053 -1.6220 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5847 -0.8969 0.5459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3242 0.4458 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1463 1.4111 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 0.5428 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8565 1.6286 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4960 -0.8455 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9023 1.5587 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4827 2.5978 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5637 -1.0481 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 -1.0402 -1.4651 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