Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester

HCID 572452

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Basic information

CAS: 76510-82-2
Standard SMILES: CCOC(=O)C(Cc1ccc(O)cc1)C(=O)OCC
InChIKey: WQZQTEDGHBZZOO-UHFFFAOYSA-N
Molecular formula: C14H18O5
Average molar mass: 266.29 g/mol
Monoisotopic mass: 266.11542367

Names & identifiers

Preferred name: Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester
IUPAC: diethyl 2-[(4-hydroxyphenyl)methyl]propanedioate

Names & synonyms

Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester76510-82-2SCHEMBL5800254DTXSID40341348WQZQTEDGHBZZOO-UHFFFAOYSA-NAKOS018662448Diethyl 2-(4-hydroxybenzyl)malonate #Diethyl [(4-hydroxyphenyl)methyl]propanedioate

Database identifiers

CAS: 76510-82-2
PubChem CID: 572452
DTXSID: DTXSID40341348

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 276

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