Methyl 3-hydroxy-2,2-dimethoxy-3-phenylpropanoate

HCID 338809

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Basic information

CAS: 67498-15-1
Standard SMILES: COC(=O)C(OC)(OC)C(O)c1ccccc1
InChIKey: NAKODYMBTIUVFS-UHFFFAOYSA-N
Molecular formula: C12H16O5
Average molar mass: 240.25 g/mol
Monoisotopic mass: 240.09977361

Names & identifiers

Preferred name: Methyl 3-hydroxy-2,2-dimethoxy-3-phenylpropanoate
IUPAC: methyl 3-hydroxy-2,2-dimethoxy-3-phenylpropanoate

Names & synonyms

methyl 3-hydroxy-2,2-dimethoxy-3-phenylpropanoate67498-15-1DTXSID60320670RefChem:355024DTXCID80271791NSC362899METHYL 3-HYDROXY-2,2-DIMETHOXY-3-PHENYL-PROPANOATENSC-362899DS-011437

Database identifiers

CAS: 67498-15-1
PubChem CID: 338809
DTXSID: DTXSID60320670

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 65 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 243

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