Pentyl hydroxy(phenyl)acetate

HCID 347424

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Basic information

CAS: 20309-57-3
Standard SMILES: CCCCCOC(=O)C(O)c1ccccc1
InChIKey: NGKXTAOKHBDGFU-UHFFFAOYSA-N
Molecular formula: C13H18O3
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.12559444

Names & identifiers

Preferred name: Pentyl hydroxy(phenyl)acetate
IUPAC: pentyl 2-hydroxy-2-phenylacetate

Names & synonyms

Pentyl hydroxy(phenyl)acetate20309-57-3DTXSID70324245RefChem:368280DTXCID50275362pentyl mandelateSCHEMBL1547678Pentyl hydroxy(phenyl)acetate #NSC406093NSC-406093Benzeneacetic acid, .alpha.-hydroxy-, pentyl ester

Database identifiers

CAS: 20309-57-3
PubChem CID: 347424
DTXSID: DTXSID70324245
Nikkaji: J1.094.419H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 197

Related reactions

1 records

New reaction record

HRID 641128As productuspto-grants-2010_04

Compound notes

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