Basic information
- CAS
5781-55-5- Standard SMILES
COC(=O)C(=O)OC(=O)C(=O)OC- InChIKey
JKFKZGGSAYSSBN-UHFFFAOYSA-N- Molecular formula
- C6H6O7
- Average molar mass
- 190.11 g/mol
- Monoisotopic mass
- 190.01135253
Names & identifiers
- Preferred name
- 2,5,8-Trioxanonane-3,4,6,7-tetrone
- IUPAC
- 2-O-(2-methoxy-2-oxoacetyl) 1-O-methyl oxalate
- English name
- 2,5,8-trioxanonane-3,4,6,7-tetrone
- Molecular formula
- C6H6O7
- Molecular weight
- 190.10764
Names & synonyms
5781-55-52,5,8-Trioxanonane-3,4,6,7-tetroneHZR9F2TR2JNSC-141023methoxy(oxo)acetic anhydridemethoxalic anhydrideEINECS 227-309-5NSC141023UNII-HZR9F2TR2J2-Methoxy-2-Oxoacetic AnhydrideDTXSID00206520JKFKZGGSAYSSBN-UHFFFAOYSA-N
Show more names
Bixafen Impurity 2 (Boscalid)Bis(methoxycarbonylformic)anhydrideEthanedioic acid, bimol. monoanhydride, dimethyl ester (9CI)
NSC 141023NS00033796Ethanedioic acid bimol. monoanhydride, dimethyl ester
Database identifiers
- CAS
5781-55-5- PubChem CID
- 79847
- DTXSID
DTXSID00206520- UNII
- HZR9F2TR2J
- EC Number
- 227-309-5
- Nikkaji
- J218.046D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 65 · 65-67 °C
- Boiling point
- 242.3 · 242.3±23.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- FDA UNII
- 9 F2TR2J · HZR9F2TR2J
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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