AG003M0F

696-54-8 | Isonicotinaldehyde oxime

AG003M0F

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CAS Number	696-54-8
Catalog Number	AG003M0F(AGN-PC-0OGSBQ)
Chemical Name	Isonicotinaldehyde oxime
EC Number	211-796-6
IUPAC Name	(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
InChI	InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+
InChI Key	OFYLBLSSPQTTHT-VMPITWQZSA-N
MDL Number	MFCD00006446
Molecular Formula	C6H6N2O
Molecular Weight	122.1246
NSC Number	63847
SMILES	N1=CC=C(C=C1)C=NO
Synonyms	pyridine-4-aldoxime, pyridine-4-aldoxime, (Z)-isomer, Pyridine-4-aldoxime, 696-54-8, Isonicotinaldehyde oxime, Isonicotinaldoxime, 4-Pyridinealdoxime, 4-(Hydroxyiminomethyl)pyridine, 4-Pyridine aldoxime, Pyridine, 4-formyl-, oxime, CCRIS 7744, 4-Pyridinecarboxaldehyde, oxime, EINECS 211-796-6, MFCD00006446, NSC 63847, 4-(nitrosomethylidene)-1H-pyridine, pyridine-4-carbaldoxime, 4-Pyridinecarbaldehyde oxime, (E)-Isonicotinaldehyde oxime, Pyridine-4-carboxaldoxime, ISONICOTINALDEHYDE, OXIME, pyridin-4-aldoxime, 1637-52-1, 4-Pyridinecarboxaldehyde, oxime, (E)-, AC1NT5BE, Isonicotinaldehyde oxime #, 4-Pyridinealdoxime, 98%, WLN: T6NJ C1UNQ, 4-(nitrosomethylene)-1H-pyridine, OFYLBLSSPQTTHT-VMPITWQZSA-N, 696-53-7, NSC63847, ZX-AN035615, NSC-63847, STK048614, AKOS016050385, ZINC100022604, GS-5936, AN-22088, CC-34111, LS-84781, AX8022244, TC-124482, (E)-N-hydroxy-1-(pyridin-4-yl)methanimine, R1144, ST24025093, W9935, (E)-N-[(pyridin-4-yl)methylidene]hydroxylamine, A836584, C-30641, Q-101280, I14-50908, Pyridine, oxime, C6H6N2O, pyridine-4-aldoxime, (Z)-isomer, C6-H6-N2-O, CID5324569, 4-Pyridinecarboxaldehyde, oxime, (Z)-, C050580,

Complexity	97.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	122.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	122.127g/mol
Monoisotopic Mass	122.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310a-P321-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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