(4-Hydroxy-3-methoxyphenyl-d3)acetic-2,2-d2 Acid

Chemical Properties

Melting point	141-142o C
Boiling point	368.691±27.00 °C(Press: 760.00 Torr)(predicted)
Density	1.308±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.	Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility	DMSO (Very Slightly), Methanol (Slightly)
form	Solid
pka	4.394±0.10(predicted)
color	White to Pale Yellow
Stability	Hygroscopic
Major Application	clinical testing clinical testing
InChI	1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2D,3D,4D,5D2
InChIKey	QRMZSPFSDQBLIX-DVHRWRHBSA-N
SMILES	O(C)c1c(c(c(c(c1[2H])C(C(=O)O)([2H])[2H])[2H])[2H])O
CAS Number Unlabeled	306-08-1

WGK Germany	WGK 1
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1

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