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
2.7139 -0.5775 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6986 -0.0595 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 1.2856 0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0113 1.4097 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6668 2.4750 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5605 0.0568 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8031 -0.3158 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 -0.7798 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 0.3938 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0654 -1.3554 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5090 -1.8246 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7356 -0.7082 -1.5053 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