Basic information
- CAS
72018-10-1- Standard SMILES
CC(CO)(CO)C(=O)O.O=C1CCCCCO1- InChIKey
ZAPXBHHDAMSYHG-UHFFFAOYSA-N- Molecular formula
- C11H20O6
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.12598835
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid--oxepan-2-one (1/1)
- IUPAC
- 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;oxepan-2-one
Names & synonyms
DTXSID109927053-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid--oxepan-2-one (1/1)RefChem:1067936DTXCID501419770ZAPXBHHDAMSYHG-UHFFFAOYSA-N
Database identifiers
- CAS
72018-10-1- PubChem CID
- 44147151
- DTXSID
DTXSID10992705
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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