Basic information
- CAS
61996-25-6- Standard SMILES
COC(C)(O)C(C)=O- InChIKey
MVCLPRFXIWTSJC-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Names & identifiers
- Preferred name
- 3-Hydroxy-3-methoxy-2-butanone
- IUPAC
- 3-hydroxy-3-methoxybutan-2-one
- English name
- 2-Butanone, 3-hydroxy-3-methoxy- (9CI)
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
61996-25-63-hydroxy-3-methoxybutan-2-one3-HYDROXY-3-METHOXY-2-BUTANONESCHEMBL13060098DTXSID309775342-Butanone, 3-hydroxy-3-methoxy-2-Butanone, 3-hydroxy-3-methoxy- (9CI)
Database identifiers
- CAS
61996-25-6- PubChem CID
- 43864
- DTXSID
DTXSID30977534- Nikkaji
- J1.622.259C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.8
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…