AG00192A

138715-82-9 | 2-Acetyl-isonicotinic acid methyl ester

AG00192A

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CAS Number	138715-82-9
Catalog Number	AG00192A(AGN-PC-00BZG7)
Chemical Name	2-Acetyl-isonicotinic acid methyl ester
IUPAC Name	methyl 2-acetylpyridine-4-carboxylate
InChI	InChI=1S/C9H9NO3/c1-6(11)8-5-7(3-4-10-8)9(12)13-2/h3-5H,1-2H3
InChI Key	VKPFTQQVEGRJCF-UHFFFAOYSA-N
MDL Number	MFCD09032412
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	C(C)(=O)C1=NC=CC(=C1)C(=O)OC
Synonyms	METHYL 2-ACETYLISONICOTINATE, 138715-82-9, Methyl 2-acetylpyridine-4-carboxylate, 2-ACETYL-ISONICOTINIC ACID METHYL ESTER, 4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester, AK110528, J-400984, PYAC31, methyl-2-acetylisonicotinate, 2-acetylisonicotic methyl ester, SCHEMBL1759313, CTK4C1371, DTXSID20468860, VKPFTQQVEGRJCF-UHFFFAOYSA-N, 6698AA, FCH864373, MFCD09032412, ZINC19045876, 2-acetylisonicotinic acid methyl ester, AKOS006288623, DS-4633, QC-4353, TRA0059936, KS-0000008R, AJ-70769, CJ-15943, OR350226, SC-53981, SY017474, AB0058690, AX8240786, DB-009968, RT-018827, TX-016241, CS-0043679, FT-0736085, ST24047652, 2-acetyl-4-Pyridinecarboxylic acid methyl ester, 2-Acetylpyridine-4-carboxylic acid methyl ester, Z-4412, MFCD09032412 (97+%), Methyl2-acetylisonicotinate, C9H9NO3, CID11579220, 626-55-1,

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	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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