Hexapentacontanoic acid
Basic information
- CAS
121730-45-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
SMNYMBFIYBIWQK-UHFFFAOYSA-N- Molecular formula
- C56H112O2
- Average molar mass
- 817.5 g/mol
- Monoisotopic mass
- 816.86623281
Names & identifiers
- Preferred name
- Hexapentacontanoic acid
- IUPAC
- hexapentacontanoic acid
Names & synonyms
Hexapentacontanoic acidSCHEMBL31290849DTXSID101314043121730-45-8
Database identifiers
- CAS
121730-45-8- PubChem CID
- 85595666
- DTXSID
DTXSID101314043
Properties
Computed structural properties
- XLogP
- 28
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 54
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 717
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Related reactions
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Compound notes
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