Basic information
- CAS
114336-72-0- Standard SMILES
CC1(C)OC(=O)C=C(O)O1- InChIKey
ANUQJJACQHAFER-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- 4H-1,3-Dioxin-4-one, 6-hydroxy-2,2-dimethyl-
- IUPAC
- 6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
Names & synonyms
114336-72-04H-1,3-Dioxin-4-one, 6-hydroxy-2,2-dimethyl-DTXSID10327250RefChem:297048DTXCID002783636-hydroxy-2,2-dimethyl-4H-1,3-dioxin-4-oneSCHEMBL13143012CS-05287006-Hydroxy-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
Database identifiers
- CAS
114336-72-0- PubChem CID
- 368302
- DTXSID
DTXSID10327250
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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