Hexyl alpha-hydroxybenzeneacetate
Basic information
- CAS
5431-31-2- Standard SMILES
CCCCCCOC(=O)C(O)c1ccccc1- InChIKey
WTWKQARYVVXCNG-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Hexyl alpha-hydroxybenzeneacetate
- IUPAC
- hexyl 2-hydroxy-2-phenylacetate
Names & synonyms
Hexyl mandelate5431-31-2KYP36AE5Y7NSC-13525NSC-521234RefChem:1086668Hexyl alpha-hydroxybenzeneacetateDTXCID601516654DTXSID401031636MANDELIC ACID, HEXYL ESTERWLN: QYR&VO6Hexylester kyseliny mandlove [Czech]
Show more names
NSC 13525NSC 521234Hexylester kyseliny mandloveBRN 3135230hexylmandelateAI 3-4202AI3-04202UNII-KYP36AE5Y7
Database identifiers
- CAS
5431-31-2- PubChem CID
- 21565
- UNII
- KYP36AE5Y7
- Nikkaji
- J41.632K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
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Compound notes
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