AG00HTTA

1349716-17-1 | 2-cyclopropylsulfonylacetic acid

AG00HTTA

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CAS Number	1349716-17-1
Catalog Number	AG00HTTA(AGN-PC-0BEPGY)
Chemical Name	2-cyclopropylsulfonylacetic acid
IUPAC Name	2-cyclopropylsulfonylacetic acid
InChI	InChI=1S/C5H8O4S/c6-5(7)3-10(8,9)4-1-2-4/h4H,1-3H2,(H,6,7)
InChI Key	FLLAPTFQWZOVIZ-UHFFFAOYSA-N
MDL Number	MFCD20233367
Molecular Formula	C5H8O4S
Molecular Weight	164.1796
SMILES	OC(CS(C1CC1)(=O)=O)=O
Synonyms	2-(Cyclopropylsulfonyl)acetic Acid, 1349716-17-1, 2-(cyclopropanesulfonyl)acetic acid, 2-cyclopropylsulfonylacetic acid, Cyclopropanesulfonyl-acetic acid, 2-(Cyclopropylsulfonyl)aceticAcid, KS-00000CY2, 5279AJ, MFCD20233367, ZINC71792197, AKOS024052753, CS-11724, DA-45836, SY028842, FT-0734266, MFCD20233367 (95%), Z2238934580, C5H8O4S,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.014g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.175g/mol
Monoisotopic Mass	164.014g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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