6-(Hydroxymethyl)-1,4-dioxan-2-one
Basic information
- CAS
112165-62-5- Standard SMILES
O=C1COCC(CO)O1- InChIKey
XJQDERKNSIPCIM-UHFFFAOYSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225873
Names & identifiers
- Preferred name
- 6-(Hydroxymethyl)-1,4-dioxan-2-one
- IUPAC
- 6-(hydroxymethyl)-1,4-dioxan-2-one
Names & synonyms
6-(hydroxymethyl)-1,4-dioxan-2-one112165-62-5DTXSID50547036RefChem:306836DTXCID50497820SCHEMBL110550706-hydroxymethyl-1,4-dioxan-2-one
Database identifiers
- CAS
112165-62-5- PubChem CID
- 13699308
- DTXSID
DTXSID50547036- Nikkaji
- J2.216.755C
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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