AG000BMD

116091-63-5 | Benzenesulfonamide, 2-methoxy-5-(2-oxopropyl)-

AG000BMD

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CAS Number	116091-63-5
Catalog Number	AG000BMD(AGN-PC-000MTZ)
Chemical Name	Benzenesulfonamide, 2-methoxy-5-(2-oxopropyl)-
EC Number	601-411-3
IUPAC Name	2-methoxy-5-(2-oxopropyl)benzenesulfonamide
InChI	InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChI Key	MQQJFLHZXQRKKJ-UHFFFAOYSA-N
MDL Number	MFCD07782136
Molecular Formula	C10H13NO4S
Molecular Weight	243.2795
SMILES	O=S(C1=CC(CC(C)=O)=CC=C1OC)(N)=O
Synonyms	116091-63-5, 5-Acetonyl-2-methoxybenzene sulfonamide, 2-methoxy-5-(2-oxopropyl)benzenesulfonamide, 5-acetonyl-2-methoxybenzenesulfonamide, 2-METHOXY-5-(2-OXO-PROPYL)BENZENESULFONAMIDE, 5-(2-Oxypropyl)-2-methoxybenzene sulphonamide, Benzenesulfonamide, 2-methoxy-5-(2-oxopropyl)-, AK-49028, 2-methoxy-5-(2-oxopropyl)benzene-1-sulfonamide, PubChem23379, 5-(2-oxypropyl)-2-methoxy benzene sulphonamide, ACMC-1C8D2, SCHEMBL48765, KSC496A4F, Jsp001153, CTK3J6042, DTXSID60557085, MQQJFLHZXQRKKJ-UHFFFAOYSA-N, ACT01905, BCP15013, KS-00000OU5, CO-020, MFCD07782136, ZINC21986557, AKOS015837670, AC-5616, CS-W022283, DS-1761, RTR-002992, 5-acetonyl-2-methoxy-benzenesulfonamide, AJ-79449, AN-10811, BR-49028, CJ-17117, Q102, AB0017399, AB1008591, AX8213870, DB-041303, TR-002992, 5-(2-Oxypropyl)-2-methoxybenzenesulfonamide, FT-0642827, ST24032886, 2-Methoxy-5-(2-oxo-propyl)-benzenesulfonamide, 2-Methoxy-5-(2-oxopropyl)-benzene sulfonamide, 5-(2-Oxypropyl)-2-methoxy benzene sulfonamide, Benzenesulfonamide,2-methoxy-5-(2-oxopropyl)-, M-1686, 091M635, A803554, I09-1378, J-003381, 2-methoxy-5-(2-oxidanylidenepropyl)benzenesulfonamide, 2-methoxy-5-(2-oxo-propyl)benzenesulfonamide, AldrichCPR, C10H13NO4S, A2948, EC 601-411-3, R-(-)-5-(2-Amino-propyl)-2-methoxy-benzenesulfonamide, 112101-81-2,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.057g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.277g/mol
Monoisotopic Mass	243.057g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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