AG00346A

52605-99-9 | 5,6-Dimethoxynicotinaldehyde

AG00346A

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CAS Number	52605-99-9
Catalog Number	AG00346A(AGN-PC-000NLN)
Chemical Name	5,6-Dimethoxynicotinaldehyde
IUPAC Name	5,6-dimethoxypyridine-3-carbaldehyde
InChI	InChI=1S/C8H9NO3/c1-11-7-3-6(5-10)4-9-8(7)12-2/h3-5H,1-2H3
InChI Key	BVQOHVMOURVZMO-UHFFFAOYSA-N
MDL Number	MFCD11857649
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	COc1cc(C=O)cnc1OC
Synonyms	5,6-Dimethoxynicotinaldehyde, 52605-99-9, 5,6-dimethoxypyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde, 5,6-dimethoxy-, ACMC-209l0n, AC1Q472S, SCHEMBL2698927, CTK6J6016, 5,?6-?Dimethoxynicotinalde?hyde, DTXSID20557127, BVQOHVMOURVZMO-UHFFFAOYSA-N, KS-000019PT, ANW-31509, FCH923282, MFCD11857649, ZINC34244770, AKOS006344564, 5,6-Dimethoxypyridine-3-carboxaldehyde, CS-W017844, TRA0035897, ACM52605999, 5,6-Dimethoxynicotinaldehyde, AldrichCPR, AJ-87619, CJ-18256, AB0039180, AX8196617, DB-071555, TR-057504, 4CH-003216, FT-0746896, ST24029244, Y6600, A-6505, I14-25342, C8H9NO3,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number