1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone - CAS 1450657-28-9

Catalog:	BB072954
Product Name:	1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone
CAS:	1450657-28-9
Synonyms:	1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone; 1-(3-Ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl) ethanone; 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanone; 1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethanone; 1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-one

Technical Data

IUPAC Name:	1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanone
Description:	1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone (cas# 1450657-28-9) is a useful research chemical.
Molecular Weight:	272.32
Molecular Formula:	C12H16O5S
Canonical SMILES:	CCOC1=C(C=CC(=C1)C(=O)CS(=O)(=O)C)OC
InChI:	InChI=1S/C12H16O5S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7H,4,8H2,1-3H3
InChI Key:	NDPZMKPHRVBCLF-UHFFFAOYSA-N
Melting Point:	141-143°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C

Complexity:	370
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.07184478
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.07184478
Rotatable Bond Count:	6
Topological Polar Surface Area:	78Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3