AG005OJB

78157-26-3 | 6-(Pyridin-4-Yl)Pyridazin-3(2H)-One

AG005OJB

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CAS Number	78157-26-3
Catalog Number	AG005OJB(AGN-PC-0KK2D1)
Chemical Name	6-(Pyridin-4-Yl)Pyridazin-3(2H)-One
IUPAC Name	3-pyridin-4-yl-1H-pyridazin-6-one
InChI	InChI=1S/C9H7N3O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7/h1-6H,(H,12,13)
InChI Key	LPRDIYKZZIDTPV-UHFFFAOYSA-N
MDL Number	MFCD00205154
Molecular Formula	C9H7N3O
Molecular Weight	173.1714
SMILES	O=C1C=CC(C2=CC=NC=C2)=NN1
Synonyms	78157-26-3, 6-(pyridin-4-yl)pyridazin-3(2H)-one, 6-Pyridin-4-yl-2H-pyridazin-3-one, 6-(4-pyridinyl)-3(2h)-pyridazinone, 3(2H)-Pyridazinone, 6-(4-pyridinyl)-, 6-PYRIDIN-4-YL-3-PYRIDAZINONE, 3-pyridin-4-yl-1H-pyridazin-6-one, AC1MBLT6, Maybridge4_003302, Oprea1_657348, SCHEMBL1751891, SCHEMBL10842034, 6-(4-pyridinyl)-3-pyridazinol, CTK2G5657, ZINC80910, DTXSID30369450, LPRDIYKZZIDTPV-UHFFFAOYSA-N, 6-(pyridin-4-yl)pyridazin-3-ol, HMS1530G02, CCG-50137, MFCD00205154, 6-(4-Pyridyl)pyridazin-3(2H)-one, 6-pyridin-4-ylpyridazin-3(2H)-one, AKOS005208320, AKOS022638647, MCULE-4283094965, 6-(pyridin-4-yl)-2H-pyridazin-3-one, AJ-10531, AS-38276, DA-03384, AB0076959, CS-0060457, FT-0751054, W-6679, SR-01000639537-1, F1967-0360, F2132-0011, ZINC00080910, CID2727612,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.175g/mol
Monoisotopic Mass	173.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

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