AG00I8TX

491-30-5 | 1(2H)-Isoquinolinone

AG00I8TX

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WARNING This product is not for human or veterinary use.

CAS Number	491-30-5
Catalog Number	AG00I8TX(AGN-PC-0JK9HG)
Chemical Name	1(2H)-Isoquinolinone
EC Number	207-732-1
IUPAC Name	2H-isoquinolin-1-one
InChI	InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChI Key	VDBNYAPERZTOOF-UHFFFAOYSA-N
MDL Number	MFCD00006899
Molecular Formula	C9H7NO
Molecular Weight	145.1580
NSC Number	27273
SMILES	C1=CC=CC2=C1C(=O)NC=C2
UNII	95EG3HGG1P
Synonyms	isocarbostyril, 1-Hydroxyisoquinoline, 491-30-5, Isoquinolin-1(2H)-one, isoquinolin-1-ol, 1-Isoquinolinol, Isocarbostyril, 2H-Isoquinolin-1-one, 1(2H)-ISOQUINOLINONE, Isoquinolin-1-one, 489453-23-8, 1,2-dihydroisoquinolin-1-one, 1(2H)-Isoquinolone, 1-hydroxyisoquinolin, isoquinolinol, Isoquinolone, 87602-67-3, 1(2H)-ISOQUINILONE, Isocarbostyril, 98%, UNII-95EG3HGG1P, 95EG3HGG1P, Isoquinolinone, CHEMBL339695, CHEBI:18350, VDBNYAPERZTOOF-UHFFFAOYSA-N, MFCD00006899, 1-isoquinolone, oxidoisoquinolinium, EINECS 207-732-1, Isocarbostyril(1-hydroxyisoquinoline), NSC 27273, PubChem6257, 1-hydroxy isoquinoline, 1-(2H)-isoquinolone, AI3-62131, isoquinolin-2(1H)-one, AC1L1UVK, 2-hydroisoquinolin-1-one, 491-30-5 isocarbostyril, Oprea1_201307, SCHEMBL57212, Isocarbostyril (VAN) (8CI), SCHEMBL3527162, SCHEMBL8327294, CTK3C2947, DTXSID10197677, HMS1760O13, ZINC332651, ACN-S003185, ACT01914, ALBB-023588, BCP23848, BCP26501, NSC27273, 6656AB, AB1219, ANW-50014, ANW-74086, BDBM50068775, CH-086, NSC-27273, QC-844, SBB004122, WT1333, AKOS001059571, AKOS007930083, AC-3150, AN-1251, CS-W002014, GS-6582, MCULE-2157646477, RP20996, VQ10050, KS-0000099O, 1-Isoquinolinol; 1-HIQ; Isocarbostyril, AJ-19551, AJ-61544, AK-29295, BC206114, BR-29295, EN002615, SC-04796, SC-14557, SY004064, ZB010656, AB0068718, AB0085597, AB1000026, DB-013848, RT-004122, ST2408787, 4CH-007059, AM20061248, FT-0605543, ST45022018, C06324, S-2070, Z-5147, 22355-EP2276741A1, 22355-EP2313391A1, 22355-EP2314593A1, 98624-EP2301928A1, MFCD00006899 (97+%), 491H305, AE-842/31875012, W-60387, J-504795, J-650286, Z56960237, InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11, 4YS, C9H7NO, D07CRG, C9-H7-N-O, 3-Hydroxypyridine-4-carboxaldehyde, CID10284, ACN-030141, ACN-037975, 1-Hydroxyisoquinoline, 98% - 1G 1g, 1-Hydroxyisoquinoline(also Isocarbostyril), A7360, C3061, N/A, 1849-54-3,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number