(+)-Mellein
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(+)-Mellein

CAS 62623-84-1
Synonyms (3S)-Mellein
IUPAC Name (3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
Molecular Weight 178.18
Molecular Formula C10H10O3
Canonical SMILES C[C@H]1CC2=C(C(=CC=C2)O)C(=O)O1
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChI Key KWILGNNWGSNMPA-LURJTMIESA-N
Boiling Point 392.7±42.0 °C
Purity 98%
Density 1.252±0.06 g/ml
pKa 9.86±0.40
Appearance Solid

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