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
-1.8043 1.6568 1.5908 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 1.2525 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 1.5805 0.9175 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2504 0.6163 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 0.5495 0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3059 -0.4066 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 -1.6293 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0137 0.2788 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6244 -2.0147 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1496 -2.2961 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 0.8326 -1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8489 -0.4205 -0.0659 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