AG000PIX

1197193-19-3 | Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)-

AG000PIX

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CAS Number	1197193-19-3
Catalog Number	AG000PIX(AGN-PC-0BLD4L)
Chemical Name	Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)-
IUPAC Name	4-methylsulfonyl-3-morpholin-4-ylbenzoic acid
InChI	InChI=1S/C12H15NO5S/c1-19(16,17)11-3-2-9(12(14)15)8-10(11)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChI Key	KGBOPGFDGBEMSK-UHFFFAOYSA-N
MDL Number	MFCD13191608
Molecular Formula	C12H15NO5S
Molecular Weight	285.3162
SMILES	O=C(O)C1=CC=C(S(=O)(C)=O)C(N2CCOCC2)=C1
Synonyms	4-(Methylsulfonyl)-3-morpholinobenzoic Acid, 1197193-19-3, 4-(METHYLSULFONYL)-3-(4-MORPHOLINYL)BENZOIC ACID, 4-(Methylsulfonyl)-3-morpholinobenzoicAcid, CTK8E1797, KS-00000CJB, 6011AJ, MFCD13191608, ZINC42684462, AKOS022183477, TRA0071713, AS-32495, SY006913, AJ-104598, AX8173870, DB-061622, TC-307572, FT-0713576, K-1391, MFCD13191608 (95+%), Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)-, C12H15NO5S, 90721-27-0,

Complexity	424
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.067g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.314g/mol
Monoisotopic Mass	285.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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

Lot Number