AG00D8VZ

51227-28-2 | 4-Methylnicotinaldehyde

AG00D8VZ

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CAS Number	51227-28-2
Catalog Number	AG00D8VZ(AGN-PC-0NJ1KV)
Chemical Name	4-Methylnicotinaldehyde
IUPAC Name	4-methylpyridine-3-carbaldehyde
InChI	InChI=1S/C7H7NO/c1-6-2-3-8-4-7(6)5-9/h2-5H,1H3
InChI Key	BAOMSKHBIVYWKE-UHFFFAOYSA-N
MDL Number	MFCD07437997
Molecular Formula	C7H7NO
Molecular Weight	121.1366
SMILES	O=Cc1cnccc1C
Synonyms	4-METHYLNICOTINALDEHYDE, 51227-28-2, 4-methyl-3-pyridinecarboxaldehyde, 4-methylpyridine-3-carbaldehyde, 4-Methylpyridine-3-carboxaldehyde, 3-Pyridinecarboxaldehyde,4-methyl-, zlchem 1261, PubChem18427, 4-methyl nicotinaldehyde, 3-PYRIDINECARBOXALDEHYDE, 4-METHYL-, 4-methyl-3-formylpyridine, SCHEMBL1043574, CTK4J3884, DTXSID40499151, ZLE0036, BAOMSKHBIVYWKE-UHFFFAOYSA-N, ZINC8700535, ANW-57808, MFCD07437997, SBB052236, AKOS006229727, CM-1930, CM10260, PB23498, RP00672, AN-41354, AS-18635, SC-12888, AB0028005, DB-081466, TX-012064, CS-0044125, FT-0084549, FT-0646279, W9932, C-8389, 227M282, A828495, I02-0990, J-515815, C7H7NO, ACN-028267,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.053g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	121.139g/mol
Monoisotopic Mass	121.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code	UN 2811

Certificate of Analysis

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