Basic information
- CAS
121730-35-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
AIOCODLLACPMJZ-UHFFFAOYSA-N- Molecular formula
- C45H90O2
- Average molar mass
- 663.2 g/mol
- Monoisotopic mass
- 662.69408211
Names & identifiers
- Preferred name
- Pentatetracontanoic acid
- IUPAC
- pentatetracontanoic acid
Names & synonyms
Pentatetracontanoic acidSCHEMBL31290845DTXSID601318838121730-35-6
Database identifiers
- CAS
121730-35-6- PubChem CID
- 85595646
- DTXSID
DTXSID601318838
Properties
Computed structural properties
- XLogP
- 22.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 43
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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