AG003SDX

35354-86-0 | 2-(3-Oxobutanamido)benzoic acid

AG003SDX

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CAS Number	35354-86-0
Catalog Number	AG003SDX(AGN-PC-0WAEAT)
Chemical Name	2-(3-Oxobutanamido)benzoic acid
EC Number	609-120-3
IUPAC Name	2-(3-oxobutanoylamino)benzoic acid
InChI	InChI=1S/C11H11NO4/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
InChI Key	QINYBRXZAIWZBM-UHFFFAOYSA-N
MDL Number	MFCD10567170
Molecular Formula	C11H11NO4
Molecular Weight	221.2093
SMILES	O=C(O)C1=CC=CC=C1NC(CC(C)=O)=O
Synonyms	35354-86-0, N-(Acetoacetyl)anthranilic acid, 2-(3-Oxobutanamido)benzoic acid, 2-(3-oxobutanoylamino)benzoic Acid, Acetoacet-O-carboxyanilide, N-Acetoacetylanthranilic Acid, ACETOACET-2-CARBOXYANILIDE, AC1N3BEB, 2'-Carboxyacetoacetanilide, ACMC-1AHK2, KSC494Q9D, SCHEMBL252897, 2-(Acetoacetamido)benzoic Acid, CTK3J4891, DTXSID10398905, ZINC2172229, 2-(1,3-dioxobutylamino)benzoic acid, AKOS010501655, MCULE-7105759851, ACM35354860, AJ-34085, AK139899, AN-25701, AX8020399, RT-002239, 2-(3-oxidanylidenebutanoylamino)benzoic acid, FT-0654245, 354A860, A822749, I01-6408, ACETOACET-O-CARBOXY ANILIDE, CID4062071, A2040,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.212g/mol
Monoisotopic Mass	221.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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