Basic information
- CAS
558480-54-9- Standard SMILES
CC(=O)On1c(=O)n(OC(C)=O)c(=O)n(OC(C)=O)c1=O- InChIKey
ROEDYTPFOWLBBH-UHFFFAOYSA-N- Molecular formula
- C9H9N3O9
- Average molar mass
- 303.18 g/mol
- Monoisotopic mass
- 303.03387887
Names & identifiers
- Preferred name
- 1,3,5-Triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione
- IUPAC
- (3,5-diacetyloxy-2,4,6-trioxo-1,3,5-triazinan-1-yl) acetate
Names & synonyms
1,3,5-triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione558480-54-9SCHEMBL2238645DTXSID30461746ROEDYTPFOWLBBH-UHFFFAOYSA-N2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl triacetate
Database identifiers
- CAS
558480-54-9- PubChem CID
- 11301124
- DTXSID
DTXSID30461746
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Related reactions
4 records
Compound notes
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