AG00DJLU

53589-27-8 | 5-Acetyl-2-aminobenzoic acid

AG00DJLU

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CAS Number	53589-27-8
Catalog Number	AG00DJLU(AGN-PC-0WANOM)
Chemical Name	5-Acetyl-2-aminobenzoic acid
IUPAC Name	5-acetyl-2-aminobenzoic acid
InChI	InChI=1S/C9H9NO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4H,10H2,1H3,(H,12,13)
InChI Key	UHAJXWNQVHUJAH-UHFFFAOYSA-N
MDL Number	MFCD20643937
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	O=C(O)C1=CC(C(C)=O)=CC=C1N
Synonyms	5-acetyl-2-aminobenzoic acid, 2-Amino-5-acetylbenzoic acid, 53589-27-8, 5-Acetylanthranilic acid, SCHEMBL11419504, MFCD20643937, ZINC13548207, AS-46418,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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