AG0033S4

500-22-1 | 3-Pyridinecarboxaldehyde

AG0033S4

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CAS Number	500-22-1
Catalog Number	AG0033S4(AGN-PC-07A261)
Chemical Name	3-Pyridinecarboxaldehyde
EC Number	207-900-4
IUPAC Name	pyridine-3-carbaldehyde
InChI	InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChI Key	QJZUKDFHGGYHMC-UHFFFAOYSA-N
MDL Number	MFCD13705407
Molecular Formula	C6H5NO
Molecular Weight	107.1100
NSC Number	8952
SMILES	O=Cc1cnccc1
UNII	840R4IDQ1T
Synonyms	3-pyridinaldehyde, nicotinaldehyde, 3-Pyridinecarboxaldehyde, Nicotinaldehyde, 500-22-1, Pyridine-3-carbaldehyde, 3-Pyridinaldehyde, 3-Pyridylcarboxaldehyde, Pyridine-3-carboxaldehyde, Nicotinealdehyde, Nicotinic aldehyde, 3-Pyridylaldehyde, 3-Pyridinealdehyde, Rowalind, 3-FORMYLPYRIDINE, Pyridine-3-aldehyde, 3-Pyridenecarboxaldehyde, NSC 8952, beta-Pyridinecarbonaldehyde, UNII-840R4IDQ1T, 3-Pyridinecarbaldehyde, 3-Pyridine carboxaldehyde, EINECS 207-900-4, MFCD00006382, BRN 0105343, .beta.-Pyridinecarbonaldehyde, AI3-33231, 840R4IDQ1T, CHEMBL268493, 3-Pyridinecarboxaldehyde, 98%, CHEBI:28345, QJZUKDFHGGYHMC-UHFFFAOYSA-N, nicotin-aldehyde, nicotine aldehyde, nicotine-aldehyde, 3-picolinaldehyde, 3-pyridinaidehyde, 3-Nicotinaldehyde, 3-formyl-pyridine, pyridin-3-aldehyde, PncA Inhibitor, 2, zlchem 291, PubChem1124, 3-pyridinecarboaldehyde, pyridin-3-carbaldehyde, 3-pyridine carbaldehyde, pyridine-3 carbaldehyde, pyridine 3carboxaldehyde, 3-pyridyl carboxaldehyde, pyridin-3-carboxaldehyde, pyridine-3-carboaldehyde, 3-pyridine-carboxaldehyde, AC1Q6PVN, pryidine-5-carboxaldehyde, pyridine 3-carboxaldehyde, pyridine-5-carboxaldehyde, ACMC-1AOL9, pyridine-3 -carboxaldehyde, AC1L1V1Z, SCHEMBL55950, 5-21-07-00334 (Beilstein Handbook Reference), KSC270O2L, Nicotinamidase Inhibitor, 16, DTXSID2022044, CTK1H0725, EBD2849, NSC8952, ZLC0110, ZINC158588, ACT04700, CS-D1122, KS-000004YW, NSC-8952, STR00136, ANW-30897, BBL027582, BDBM50026863, FC1295, RW2016, SBB004359, STL185602, AKOS000119053, AB00744, AC-2428, LS20485, MCULE-3309731741, RP00448, RTR-017924, VP15123, AJ-15233, AK-50733, AN-14007, BC221128, BR-50733, CJ-01769, L561, LS-96352, SC-04854, ZB006950, DB-016185, ST2417841, TL8003318, TR-017924, AM20061257, FT-0600445, N0090, ST50213338, C07327, X-1003, 3-Pyridinemethanol or 3-pyridinecarboxaldehyde or, A827936, W-105995, F2190-0612, InChI=1/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5, C6H5NO, 3-PYRIDINYLCARBINOL, C6-H5-N-O, CID10371, Pyridine-3-carboxaldehyde, 97% 50g, A7437, 3-Pyridinecarboxaldehyde, 97% - 100G 100g, PYF,

Complexity	82.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	107.037g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	107.112g/mol
Monoisotopic Mass	107.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H315-H317-H318-H335-H412
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 1989

Certificate of Analysis

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