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4,6-Dihydroxy-3-[3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one
[CAS# 94820-65-2]

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Identification
Name 4,6-Dihydroxy-3-[3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one
Synonyms 7-Hydroxywarfarin-d5; MFCD00272675
Molecular Structure CAS#: 94820-65-2, 4,6-Dihydroxy-3-[3-oxo-1-(<sup>2</sup>H<sub>5</sub>)phenylbutyl]-2H-chromen-2-one
Molecular Formula C19H11D5O5
Molecular Weight 329.36
CAS Registry Number 94820-65-2
SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC(=O)C)C2=C(C3=C(C=CC(=C3)O)OC2=O)O)[2H])[2H]
InChI 1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/i2D,3D,4D,5D,6D
InChIKey IQWPEJBUOJQPDE-VIQYUKPQSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 581.7±50.0°C at 760 mmHg (Cal.)
Flash point 214.4±23.6°C (Cal.)
Market Analysis Reports
List of Reports Available for 4,6-Dihydroxy-3-[3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one
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