(2r,3r)-1,4-Dioxane-2,3-dicarboxylic acid
Basic information
- CAS
6938-87-0- Standard SMILES
O=C(O)[C@@H]1OCCO[C@H]1C(=O)O- InChIKey
XUZZZKIOMAMVTK-QWWZWVQMSA-N- Molecular formula
- C6H8O6
- Average molar mass
- 176.12 g/mol
- Monoisotopic mass
- 176.03208797
Names & identifiers
- Preferred name
- (2r,3r)-1,4-Dioxane-2,3-dicarboxylic acid
- IUPAC
- (2R,3R)-1,4-dioxane-2,3-dicarboxylic acid
Names & synonyms
NSC536946938-87-0(2r,3r)-1,4-dioxane-2,3-dicarboxylic acidDTXSID30287963NSC-53694
Database identifiers
- CAS
6938-87-0- PubChem CID
- 243603
- DTXSID
DTXSID30287963
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
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Compound notes
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