Nonahexacontanoic acid
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Basic information
- CAS
40710-32-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
KTUPKHQFSAAMEE-UHFFFAOYSA-N- Molecular formula
- C69H138O2
- Average molar mass
- 999.8 g/mol
- Monoisotopic mass
- 999.06968364
Overview
Nonahexacontanoic acid has been reported in Eucalyptus globulus with data available.
Names & identifiers
- Preferred name
- Nonahexacontanoic acid
- IUPAC
- nonahexacontanoic acid
- English name
- NONAHEXACONTANOICACID
- Molecular formula
- C69H138O2
- Molecular weight
- 999.83
Names & synonyms
NONAHEXACONTANOIC ACID40710-32-5DTXSID70193695RefChem:166433DTXCID10116186KTUPKHQFSAAMEE-UHFFFAOYSA-NNONAHEXACONTANOICACIDSCHEMBL1250108
Database identifiers
- CAS
40710-32-5- PubChem CID
- 38626
- DTXSID
DTXSID70193695- Nikkaji
- J240.258K
Properties
Computed structural propertiesFilling in
- XLogP
- 35.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 67
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 913
Physicochemical properties
- Boiling point
- 556.7 · 556.7±13.0 °C(Predicted)
- Density
- 0.86 · 0.860±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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