5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one

HCID 315971

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Basic information

CAS: 90623-76-0
Standard SMILES: CC1(C2CC(=O)c3c(O)ccc(O)c3C2)OCCO1
InChIKey: UODXJPWOWRYHON-UHFFFAOYSA-N
Molecular formula: C14H16O5
Average molar mass: 264.27 g/mol
Monoisotopic mass: 264.09977361

Names & identifiers

Preferred name: 5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one

Names & synonyms

MLS00311524990623-76-0NSC243138CHEMBL2131339DTXSID70311418NSC-243138SMR0018308315,8-Dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one

Database identifiers

CAS: 90623-76-0
PubChem CID: 315971
DTXSID: DTXSID70311418
ChEMBL: CHEMBL2131339

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 76 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 363

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