Basic information
- CAS
72845-16-0- Standard SMILES
O=C(O)CC(O)(CCO)C(=O)O- InChIKey
NEKCGUDYCRXAAK-UHFFFAOYSA-N- Molecular formula
- C6H10O6
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.04773803
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(2-hydroxyethyl)butanedioic acid
- IUPAC
- 2-hydroxy-2-(2-hydroxyethyl)butanedioic acid
Names & synonyms
2-Hydroxy-2-(2-hydroxyethyl)butanedioic acid72845-16-0SCHEMBL18283303DTXSID70709073
Database identifiers
- CAS
72845-16-0- PubChem CID
- 54106953
- DTXSID
DTXSID70709073
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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