AG002QXI

252061-78-2 | 1(2H)​-​Isoquinolinone, 6-​hydroxy-

AG002QXI

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CAS Number	252061-78-2
Catalog Number	AG002QXI(AGN-PC-0N5P1O)
Chemical Name	1(2H)​-​Isoquinolinone, 6-​hydroxy-
IUPAC Name	6-hydroxy-2H-isoquinolin-1-one
InChI	InChI=1S/C9H7NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-5,11H,(H,10,12)
InChI Key	GCJZYOIXXVVQKC-UHFFFAOYSA-N
MDL Number	MFCD12405871
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=c1c2c(cc(cc2)O)cc[nH]1
Synonyms	6-hydroxyisoquinolin-1(2H)-one, 252061-78-2, 6-hydroxy-2H-isoquinolin-1-one, AK120908, isoquinoline-1,6-diol, 6-hydroxy-2H-isoquinolinone, SCHEMBL1035426, DTXSID70440979, 6-oxidanyl-2H-isoquinolin-1-one, GCJZYOIXXVVQKC-UHFFFAOYSA-N, KS-00000R4K, MFCD12405871, ZINC33358961, AKOS015919106, DS-6303, FCH1155041, ACM252061782, AJ-85887, QC-11405, AX8246371, DB-067346, FT-0656677, A817707, S08-0058, 6-Chloroisoquinolin-1-ol, 1(2H)-Isoquinolinone, 6-hydroxy-, CID10511170,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number