AG009YXY

14245-62-6 | Ethanesulfonic acid isopropyl ester

AG009YXY

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CAS Number	14245-62-6
Catalog Number	AG009YXY(AGN-PC-0JMNWI)
Chemical Name	Ethanesulfonic acid isopropyl ester
IUPAC Name	propan-2-yl ethanesulfonate
InChI	InChI=1S/C5H12O3S/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3
InChI Key	COCAPDHQLSKPBJ-UHFFFAOYSA-N
MDL Number	MFCD01728622
Molecular Formula	C5H12O3S
Molecular Weight	152.2120
SMILES	C(C)S(=O)(=O)OC(C)C
Synonyms	Isopropyl ethanesulfonate, 14245-62-6, Ethanesulfonic acid, isopropyl ester, BRN 1854234, Ethanesulfonic acid, 1-methylethyl ester, ethanesulfonic acid isopropyl ester, propan-2-yl ethanesulfonate, AC1Q6XUH, ethanesulfonic acid, 1-methylethyl ester(9ci), SCHEMBL778313, AC1L351A, propan-2-yl ethane-1-sulfonate, DTXSID30162044, COCAPDHQLSKPBJ-UHFFFAOYSA-N, ZINC5863837, AKOS028108578, LS-65670, Ethanesulfonic acid, 1-methylethyl ester (9CI), C5-H12-O3-S, AR-1I7588, CID134677, 14409-63-3,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.051g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.208g/mol
Monoisotopic Mass	152.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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