AG007523

40137-11-9 | Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester

AG007523

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CAS Number	40137-11-9
Catalog Number	AG007523(AGN-PC-0JSHEG)
Chemical Name	Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester
IUPAC Name	1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
InChI	InChI=1S/C6H15O5PS/c1-4-10-12(7,11-5-2)6-13(3,8)9/h4-6H2,1-3H3
InChI Key	DFCKGLGTOXDULU-UHFFFAOYSA-N
MDL Number	MFCD18824328
Molecular Formula	C6H15O5PS
Molecular Weight	230.2191
SMILES	O=S(CP(OCC)(OCC)=O)(C)=O
Synonyms	40137-11-9, diethyl methylsulfonylmethylphosphonate, Diethyl ((methylsulfonyl)methyl)phosphonate, Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester, Diethyl(methylsulfonylmethyl)phosphonate, DFCKGLGTOXDULU-UHFFFAOYSA-N, 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane, diethyl [(methylsulfonyl)methyl]phosphonate, diethyl(methylsulfonyl)methylphosphonate, AC1LBDMY, diethyl (methanesulfonylmethyl)phosphonate, AC1Q6TMG, SCHEMBL159202, CTK1D4777, ZINC4533363, MFCD00181919, AK165911, diethyl[(methylsulfonyl)methyl]phosphonate, Diethyl (methylsulfonyl)methylphosphonate #, CS-0046853, FT-0697101, Methylsulfonylmethylphosphonic acid diethyl ester, Methylsulfonylmethylphosphonic acid, diethyl ester, Phosphonicacid,P-[(methylsulfonyl)methyl]-,diethylester, AR-1I5028, CID533797, Diethyl (methylsulfonyl)methylphosphonate, 40387-52-8,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.215g/mol
Monoisotopic Mass	230.038g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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