4,6-Dihydroxy-4-methyloxan-2-one
Basic information
- CAS
541-07-1- Standard SMILES
CC1(O)CC(=O)OC(O)C1- InChIKey
IWRRRSOSYPFCDM-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-4-methyloxan-2-one
- IUPAC
- 4,6-dihydroxy-4-methyloxan-2-one
Names & synonyms
4,6-dihydroxy-4-methyloxan-2-oneC00772AC1L973KSureCN6263831SCHEMBL6263831DTXSID309689674,6-dihydroxy-4-methyl-tetrahydropyran-2-one
Database identifiers
- CAS
541-07-1- PubChem CID
- 439307
- DTXSID
DTXSID30968967
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
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Compound notes
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