AG003A6L

934016-09-8 | Methyl 4-acetylpyridine-2-carboxylate

AG003A6L

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CAS Number	934016-09-8
Catalog Number	AG003A6L(AGN-PC-0WAN9C)
Chemical Name	Methyl 4-acetylpyridine-2-carboxylate
IUPAC Name	methyl 4-acetylpyridine-2-carboxylate
InChI	InChI=1S/C9H9NO3/c1-6(11)7-3-4-10-8(5-7)9(12)13-2/h3-5H,1-2H3
InChI Key	GZLDGDOOYSWNMY-UHFFFAOYSA-N
MDL Number	MFCD18256188
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	C(C)(=O)C1=CC(=NC=C1)C(=O)OC
Synonyms	Methyl 4-acetylpicolinate, 934016-09-8, methyl 4-acetylpyridine-2-carboxylate, SCHEMBL4939178, GZLDGDOOYSWNMY-UHFFFAOYSA-N, MFCD18256188, ZINC95930390, AKOS022176884, DS-7989, FCH1150140, KS-00000S26, AK145099, AJ-136295, AX8283189,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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