AG0016HP

1219828-27-9 | 3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-

AG0016HP

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CAS Number	1219828-27-9
Catalog Number	AG0016HP(AGN-PC-03ERF2)
Chemical Name	3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-
IUPAC Name	1-methylsulfonylazetidine-3-carboxylic acid
InChI	InChI=1S/C5H9NO4S/c1-11(9,10)6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key	HBOQFIHAKZBLJA-UHFFFAOYSA-N
MDL Number	MFCD00143335
Molecular Formula	C5H9NO4S
Molecular Weight	179.1943
SMILES	O=C(C1CN(S(=O)(C)=O)C1)O
Synonyms	1219828-27-9, 1-(Methylsulfonyl)-3-azetidinecarboxylic Acid, 1-methanesulfonylazetidine-3-carboxylic acid, 1-(methylsulfonyl)azetidine-3-carboxylic acid, 1-(Methylsulfonyl)azetidine-3-carboxylic, 1-(Methanesulfonyl)azetidine-3-carboxylic acid, SCHEMBL3286520, DTXSID30617680, HBOQFIHAKZBLJA-UHFFFAOYSA-N, KS-000008KL, 4995AJ, MFCD16653314, ZINC43830503, AKOS006333005, CCG-210067, MCULE-1331629786, TRA0072357, AS-32355, SY022499, 1-methylsulfonylazetidine-3-carboxylic acid, AB0065640, TC-306612, CS-0052482, VU0494832-1, L-3105, 3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-, MFCD16653314 (95+%), F2158-1526, Z1738983584, C5H9NO4S, 16657-07-1,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.19g/mol
Monoisotopic Mass	179.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

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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