AG0033CG

106984-91-2 | 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde

AG0033CG

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CAS Number	106984-91-2
Catalog Number	AG0033CG(AGN-PC-0CQRP7)
Chemical Name	6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
IUPAC Name	6-oxo-1H-pyridine-3-carbaldehyde
InChI	InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)7-3-5/h1-4H,(H,7,9)
InChI Key	BUMAFTGGYPBHHK-UHFFFAOYSA-N
MDL Number	MFCD03094941
Molecular Formula	C6H5NO2
Molecular Weight	123.1094
SMILES	O=C1C=CC(=CN1)C=O
Synonyms	6-Hydroxynicotinaldehyde, 106984-91-2, 2-hydroxy-5-formylpyridine, 6-Hydroxypyridine-3-Carbaldehyde, 6-Oxo-1,6-dihydropyridine-3-carbaldehyde, 6-Hydroxy-3-pyridinecarboxaldehyde, 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde, 1,6-dihydro-6-oxo-, MFCD03094941, 6-oxo-1H-pyridine-3-carbaldehyde, 5-formyl-2-pyridone, PubChem17127, ACMC-1BRTF, AC1Q78TK, KSC493S0R, SCHEMBL435100, ACMC-2098n2, CTK3J3908, DTXSID00446303, BUMAFTGGYPBHHK-UHFFFAOYSA-N, 2-hydroxypyridine-5-carboxaldehyde, 6-Hydroxypyridine-3-carboxaldehyde, ZINC8698108, ANW-15468, ANW-50674, SBB052249, AKOS005072121, AKOS022633011, AC-6612, AN-9851, CB-0744, CS-W019709, MCULE-6313045326, RP00703, RTR-001368, TRA0020817, 2-hydroxy-5-formylpyridine, AldrichCPR, KS-00000B16, AJ-57939, AK-28718, BC650796, BL005396, BR-28718, CJ-13343, N405, SC-66605, SY018144, AB0015765, AB1005316, DB-010680, ST2412477, TR-001368, 4CH-009451, AM20070222, FT-0646853, ST51044611, 3-Pyridinecarboxaldehyde,1,6-dihydro-6-oxo-, A-1737, X-1856, MFCD03094941 (97+%), 984H912, S02-0197, W-204620, 6-oxo-1,6-dihydro-pyridine-3-carbaldehyde, AldrichCPR, C6H5NO2, CID10866326, A2053, 3-Pyridinecarboxaldehyde, 1,6-dihydro-6-oxo- (9CI),

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.032g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	123.111g/mol
Monoisotopic Mass	123.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

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

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