Hexacontanoic acid
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Basic information
- CAS
40710-31-4- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
WKPXJYHJVVMXOA-UHFFFAOYSA-N- Molecular formula
- C60H120O2
- Average molar mass
- 873.6 g/mol
- Monoisotopic mass
- 872.92883307
Names & identifiers
- Preferred name
- Hexacontanoic acid
- IUPAC
- hexacontanoic acid
- English name
- Hexacontanoic acid
- Molecular formula
- C60H120O2
- Molecular weight
- 873.59
Names & synonyms
Hexacontanoic acid40710-31-4DTXSID00338032RefChem:145912DTXCID80289119WKPXJYHJVVMXOA-UHFFFAOYSA-NSCHEMBL30810487n-Hexacontansaeure
Database identifiers
- CAS
40710-31-4- PubChem CID
- 545975
- DTXSID
DTXSID00338032- Nikkaji
- J119.354F
Properties
Computed structural propertiesFilling in
- XLogP
- 30.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 58
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Melting point
- 86.3 · 86.3-87.2 °C
- Boiling point
- 539.9 · 539.9±13.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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