2-Methoxyphenylsulfate Potassium Salt - CAS 3233-59-8

Catalog:	BB056423
Product Name:	2-Methoxyphenylsulfate Potassium Salt
CAS:	3233-59-8
Synonyms:	2-Methoxyphenol 1-(hydrogen sulfate); o-Methoxyphenol Hydrogen Sulfate; 2-Methoxyphenyl Sulfate; o-Methoxyphenyl Sulfate

Technical Data

IUPAC Name:	(2-methoxyphenyl) hydrogen sulfate
Description:	2-Methoxyphenylsulfate is used in the analysis of alkylsulfatases and their kinetics.
Molecular Weight:	242.29
Molecular Formula:	C7H7KO5S
Canonical SMILES:	COC1=CC=CC=C1OS(=O)(=O)O
InChI:	InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key:	AQTYXAPIHMXAAV-UHFFFAOYSA-N
Melting Point:	>265°C (dec.)
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Bateman, T. et al. Biochem. J., 236, 401 (1986).

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.00924453
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.00924453
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7