2-(3-Acetyloxy-2,5-dioxooxolan-3-yl)acetic acid
Basic information
- CAS
58032-65-8- Standard SMILES
CC(=O)OC1(CC(=O)O)CC(=O)OC1=O- InChIKey
NZWRMXCRZDAECH-UHFFFAOYSA-N- Molecular formula
- C8H8O7
- Average molar mass
- 216.14 g/mol
- Monoisotopic mass
- 216.02700259
Names & identifiers
- Preferred name
- 2-(3-Acetyloxy-2,5-dioxooxolan-3-yl)acetic acid
- IUPAC
- 2-(3-acetyloxy-2,5-dioxooxolan-3-yl)acetic acid
- English name
- Citric acid anhydride acetate
- Molecular formula
- C8H8O7
- Molecular weight
- 216.14
Names & synonyms
58032-65-82-(3-acetyloxy-2,5-dioxooxolan-3-yl)acetic acid2-(3-acetyloxy-2,5-dioxo-oxolan-3-yl)acetic acidNSC151091SCHEMBL50671432-(3-Acetoxy-2,5-dioxotetrahydrofuran-3-yl)acetic acid[3-(ACETYLOXY)-2,5-DIOXOOXOLAN-3-YL]ACETIC ACIDDTXSID90302464AKOS027324567NSC-151091DB-2505882-Acetoxy-propanA-e-1,2,3-tricarboxyA-lic acid-1,2-anhydride
Show more names
Citric acid anhydride acetate3-Furanacetic acid, 3-(acetyloxy)tetrahydro-2,5-dioxo-2-Acetoxy-propan-e-1,2,3-tricarboxy-lic acid-1,2-anhydride
Database identifiers
- CAS
58032-65-8- PubChem CID
- 289358
- DTXSID
DTXSID90302464- Nikkaji
- J3.775.048D
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 120 · 120-123 °C
- Boiling point
- 451.4 · 451.4±30.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.03 · 4.03±0.10(Predicted)
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Compound notes
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