Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide

HCID 30164

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Basic information

CAS: 20460-96-2
Standard SMILES: CC(=O)Nc1ccc(OC(=O)OCC(C)C)cc1
InChIKey: PGKOLYSUULYZTK-UHFFFAOYSA-N
Molecular formula: C13H17NO4
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.11575802

Names & identifiers

Preferred name: Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide
IUPAC: (4-acetamidophenyl) 2-methylpropyl carbonate

Names & synonyms

4-Acetamidophenyl isobutyl carbonateBRN 2133417CARBONIC ACID, ISOBUTYL ESTER, ESTER with 4'-HYDROXYACETANILIDE20460-96-2DTXSID10174423RefChem:333418DTXCID20969144-Acetamidophenyl 2-methylpropyl carbonate

Database identifiers

CAS: 20460-96-2
PubChem CID: 30164
DTXSID: DTXSID10174423

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 283

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