3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoic acid;octadecan-1-ol
Basic information
- CAS
93924-84-6- Standard SMILES
CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCCCCCCO- InChIKey
HFOFUFRTMGKDQH-UHFFFAOYSA-N- Molecular formula
- C35H64O4
- Average molar mass
- 548.9 g/mol
- Monoisotopic mass
- 548.48046052
Names & identifiers
- Preferred name
- 3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoic acid;octadecan-1-ol
- IUPAC
- 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octadecan-1-ol
Names & synonyms
SCHEMBL15473614
Database identifiers
- CAS
93924-84-6- PubChem CID
- 89969839
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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