AG00C6DC

357913-53-2 | 3-(Methylsulfonyl)propyl methanesulfonate

AG00C6DC

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CAS Number	357913-53-2
Catalog Number	AG00C6DC(AGN-PC-0O9A0I)
Chemical Name	3-(Methylsulfonyl)propyl methanesulfonate
IUPAC Name	3-methylsulfonylpropyl methanesulfonate
InChI	InChI=1S/C5H12O5S2/c1-11(6,7)5-3-4-10-12(2,8)9/h3-5H2,1-2H3
InChI Key	BZQGPGKJLOOSFU-UHFFFAOYSA-N
MDL Number	MFCD18642728
Molecular Formula	C5H12O5S2
Molecular Weight	216.2758
SMILES	CS(=O)(=O)CCCOS(C)(=O)=O
Synonyms	3-(methylsulfonyl)propyl methanesulfonate, 357913-53-2, AK-78371, 3-(Methylsulfonyl)propyl (Methanesulfonate), 1-Propanol,3-(methylsulfonyl)-,1-methanesulfonate, SCHEMBL223147, CTK8C4315, KS-00000PMU, DTXSID60437530, BZQGPGKJLOOSFU-UHFFFAOYSA-N, CS-M0565, ANW-71552, MFCD18642728, ZINC38435585, FCH1335742, AJ-95318, DS-17320, TZ000595, AX8224656, TC-160297, FT-0746743, methanesulfonic acid 3-methanesulfonyl-propyl ester, CID10262758, 1-methylsulfonyl-3-methylsulfonyloxy-propane,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.013g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.266g/mol
Monoisotopic Mass	216.013g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	94.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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