[4-(Propan-2-yl)phenyl]methanediyl dipropanoate

HCID 239453

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Basic information

CAS: 57547-74-7
Standard SMILES: CCC(=O)OC(OC(=O)CC)c1ccc(C(C)C)cc1
InChIKey: ATQMNHMEMUEBDI-UHFFFAOYSA-N
Molecular formula: C16H22O4
Average molar mass: 278.34 g/mol
Monoisotopic mass: 278.15180918

Names & identifiers

Preferred name: [4-(Propan-2-yl)phenyl]methanediyl dipropanoate
IUPAC: [propanoyloxy-(4-propan-2-ylphenyl)methyl] propanoate

Names & synonyms

57547-74-7[4-(propan-2-yl)phenyl]methanediyl dipropanoateNSC44542DTXSID20286268NSC-44542[4-(Propan-2-yl)phenyl]methylene dipropanoateMethanediol, 1-[4-(1-methylethyl)phenyl]-, dipropanoate

Database identifiers

CAS: 57547-74-7
PubChem CID: 239453
DTXSID: DTXSID20286268

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 298

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