(2r,5s)-1,4-Dioxane-2,5-dicarboxylic acid
Basic information
- CAS
6938-88-1- Standard SMILES
O=C(O)[C@@H]1CO[C@@H](C(=O)O)CO1- InChIKey
JZKLSONINQGNTI-ZXZARUISSA-N- Molecular formula
- C6H8O6
- Average molar mass
- 176.12 g/mol
- Monoisotopic mass
- 176.03208797
Names & identifiers
- Preferred name
- (2r,5s)-1,4-Dioxane-2,5-dicarboxylic acid
- IUPAC
- (2S,5R)-1,4-dioxane-2,5-dicarboxylic acid
Names & synonyms
(2r,5s)-1,4-dioxane-2,5-dicarboxylic acid6938-88-1NSC53695SCHEMBL8071886DTXSID90287964NSC-53695(2R,4-dioxane-2,5-dicarboxylic acidEN300-7439026
Database identifiers
- CAS
6938-88-1- PubChem CID
- 243604
- DTXSID
DTXSID90287964- Nikkaji
- J3.736.518A
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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