Hexanoic acid, 4-(acetyloxy)-, methyl ester

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Basic information

CAS: 112059-09-3
Standard SMILES: CCC(CCC(=O)OC)OC(C)=O
InChIKey: WRENTVUAYOGUPV-UHFFFAOYSA-N
Molecular formula: C9H16O4
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.10485899

Names & identifiers

Preferred name: Hexanoic acid, 4-(acetyloxy)-, methyl ester
IUPAC: methyl 4-acetyloxyhexanoate

Names & synonyms

Hexanoic acid, 4-(acetyloxy)-, methyl estermethyl 4-acetoxyhexanoate112059-09-3Methyl hexanoate, 4-acetoxyDTXSID70335573WRENTVUAYOGUPV-UHFFFAOYSA-NMETHYL 4-(ACETYLOXY)HEXANOATE1H-Pyrazole-3-carbaldehyde N-(tert-butyl)thiosemicarbazone

Database identifiers

CAS: 112059-09-3
PubChem CID: 526150
DTXSID: DTXSID70335573

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 176

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Compound notes

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