AG008Q42

75418-74-5 | 3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER

AG008Q42

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CAS Number	75418-74-5
Catalog Number	AG008Q42(AGN-PC-0NJU74)
Chemical Name	3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER
IUPAC Name	methyl 3-oxo-3-pyridin-2-ylpropanoate
InChI	InChI=1S/C9H9NO3/c1-13-9(12)6-8(11)7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChI Key	INPIXQVBVNGVBU-UHFFFAOYSA-N
MDL Number	MFCD11849520
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	O=C(OC)CC(C1=NC=CC=C1)=O
Synonyms	75418-74-5, METHYL 3-OXO-3-(PYRIDIN-2-YL)PROPANOATE, Methyl 3-oxo-3-(pyridin-2yl)propanoate, Methyl 2-picolinoylacetate, methyl 3-oxo-3-pyridin-2-ylpropanoate, AK-50095, SCHEMBL852344, CTK8B7209, DTXSID20506392, INPIXQVBVNGVBU-UHFFFAOYSA-N, 1722AC, ANW-56710, MFCD11849520, ZINC39262827, AKOS015969069, CS-W023135, WT81965, AJ-99498, BBV-39725482, CJ-19896, b-oxo-2-Pyridinepropanoic acid methyl ester, DB-074979, ST2407217, TR-037675, 4CH-018606, FT-0737000, 3-Oxo-3-pyridin-2-ylpropionic acid methyl ester, 3-(2-Pyridinyl)-3-oxopropanoic acid methyl ester, 2-Pyridinepropanoic acid, .beta.-oxo-, methyl ester, C9H9NO3, Methyl3-oxo-3-(pyridin-2yl)propanoate,

Complexity	203
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	4
Topological Polar Surface Area	56.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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