Basic information
- CAS
5457-10-3- Standard SMILES
CCCC(O)C(C)(C(=O)O)c1ccccc1- InChIKey
XRHHBKJQHNRZHN-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methyl-2-phenylhexanoic acid
- IUPAC
- 3-hydroxy-2-methyl-2-phenylhexanoic acid
- English name
- 3-hydroxy-2-methyl-2-phenyl-hexanoic acid
- Molecular formula
- C13H18O3
- Molecular weight
- 0
Names & synonyms
5457-10-33-hydroxy-2-methyl-2-phenylhexanoic acidNSC21328DTXSID20281334NSC-213283-hydroxy-2-methyl-2-phenyl-hexanoic acid
Database identifiers
- CAS
5457-10-3- PubChem CID
- 228409
- DTXSID
DTXSID20281334
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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