AG003JWB

6968-72-5 | 3-(hydroxymethyl)pyridin-1-ium-1-olate

AG003JWB

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CAS Number	6968-72-5
Catalog Number	AG003JWB(AGN-PC-0JLAD4)
Chemical Name	3-(hydroxymethyl)pyridin-1-ium-1-olate
EC Number	230-187-6
IUPAC Name	(1-oxidopyridin-1-ium-3-yl)methanol
InChI	InChI=1S/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2
InChI Key	LQYJAVWWKTWWKN-UHFFFAOYSA-N
MDL Number	MFCD00006204
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	C1=CC(=C[N+](=C1)[O-])CO
UNII	BR2Z22465M
Synonyms	Mepiroxol, 6968-72-5, 3-Pyridinemethanol N-oxide, Lysateril, Mepyroxol, 3-Pyridylcarbinol N-oxide, 3-(Hydroxymethyl)pyridine 1-oxide, 3-Pyridinemethanol 1-oxide, UNII-BR2Z22465M, 3-(Hydroxymethyl)pyridine N-oxide, BR2Z22465M, 3-(hydroxymethyl)pyridin-1-ium-1-olate, NCGC00166237-01, DSSTox_CID_26569, DSSTox_RID_81728, DSSTox_GSID_46569, Mepiroxolum, CAS-6968-72-5, Mepiroxol [INN:DCF], Mepiroxolum [INN-Latin], Pyridine-3-methanol N-oxide, 3-Pyridinemethanol, 1-oxide, EINECS 230-187-6, NSC 66283, 3-PyridinemethanolN-oxide, 3-Pyrinemethanol 1-oxide, AC1L2GL9, SCHEMBL904581, 3-hydroxymethylpyridine N-oxide, 3-hydroxymethylpyridine-N-oxide, ZINC1683, CHEMBL1985503, DTXSID0046569, (Pyridin-3-yl)methanol 1-oxide, 3-hydroxymethyl-pyridine N-oxide, 3-Pyridylcarbinol N-oxide, 97%, LQYJAVWWKTWWKN-UHFFFAOYSA-N, HMS3264M19, Pharmakon1600-01504616, AC1Q2229, NSC66283, Tox21_112363, 2162AH, NSC-66283, NSC758906, (1-oxidopyridin-1-ium-3-yl)methanol, Tox21_112363_1, CCG-214031, NE25473, NSC-758906, VP14586, NCGC00166237-02, DB-055323, FT-0636319, SW220292-1, AB01563378_01, AB01563378_02, SR-01000872729, SR-01000872729-1, Mepiroxol [DCF:INN], C6H7NO2, C6-H7-N-O2, CID71668, AR-1J3937, A8468, 7159-98-0,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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