Carbonic acid, butyl ester, ester with salicylic acid

HCID 30232

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Basic information

CAS: 20704-97-6
Standard SMILES: CCCCOC(=O)Oc1ccccc1C(=O)O
InChIKey: YTMGZSYPRSRQAU-UHFFFAOYSA-N
Molecular formula: C12H14O5
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.08412354

Names & identifiers

Preferred name: Carbonic acid, butyl ester, ester with salicylic acid
IUPAC: 2-butoxycarbonyloxybenzoic acid

Names & synonyms

CARBONIC ACID, BUTYL ESTER, ESTER with SALICYLIC ACIDBRN 2942695Benzoic acid, 2-((butoxycarbonyl)oxy)-o-Carboxyphenyl carbonic acid butyl ester20704-97-6DTXSID10174761RefChem:333370DTXCID9097252SCHEMBL85896312-[(butoxycarbonyl)oxy]benzoic acid

Database identifiers

CAS: 20704-97-6
PubChem CID: 30232
DTXSID: DTXSID10174761

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 264

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