Basic information
- CAS
5106-46-7- Standard SMILES
O=C(O)CCCCCOO- InChIKey
WHZIPJSAMHDEOG-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- 6-Hydroperoxyhexanoic acid
- IUPAC
- 6-hydroperoxyhexanoic acid
- English name
- Peroxyhexanoic acid
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
6-hydroperoxyhexanoic acidDTXSID005984125106-46-7RefChem:308512DTXCID505491716-hydroperoxy-hexanoic acidSCHEMBL150861SCHEMBL15563385AKOS006376744Percaproic acidPeroxyhexanoic acidHexaneperoxoic acid
Database identifiers
- CAS
5106-46-7- PubChem CID
- 19366384
- DTXSID
DTXSID00598412- Nikkaji
- J2.325.525A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Boiling point
- 184.08 °C · 184.08°C (rough estimate)
- Density
- 1.065 · 1.0650 (rough estimate)
- refractive index
- 1.473 · 1.4730 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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