AG0071FV

42816-53-5 | 5-Aminoindoline-2,3-dione

AG0071FV

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CAS Number	42816-53-5
Catalog Number	AG0071FV(AGN-PC-00GT8U)
Chemical Name	5-Aminoindoline-2,3-dione
IUPAC Name	5-amino-1H-indole-2,3-dione
InChI	InChI=1S/C8H6N2O2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,9H2,(H,10,11,12)
InChI Key	NJTNUMGNMGRBNP-UHFFFAOYSA-N
MDL Number	MFCD00091972
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	NC1=CC=C2NC(=O)C(=O)C2=C1
Synonyms	5-aminoisatin, 5-Aminoisatin, 5-aminoindoline-2,3-dione, 42816-53-5, 5-amino-1H-indole-2,3-dione, 5-Amino-isatin, 5-amino1H-indole-2,3-dion, SCHEMBL1853800, 5-amino-1H-indole-2,3-dion, 5-azanyl-1H-indole-2,3-dione, CHEBI:59593, CTK4I6631, DTXSID20473696, NJTNUMGNMGRBNP-UHFFFAOYSA-N, ZINC2575252, 5907AB, AKOS015915047, AJ-42361, SC-94429, DB-070346, 5-amino-2,3-dihydro-1H-indole-2,3-dione, FT-0651591, A826010, I14-7202, C8H6N2O2, CID11819346,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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