AG005C0Z

73672-37-4 | 3-PYRIDINEACETIC ACID, A-OXO, ETHYL ESTER

AG005C0Z

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CAS Number	73672-37-4
Catalog Number	AG005C0Z(AGN-PC-0NJ53X)
Chemical Name	3-PYRIDINEACETIC ACID, A-OXO, ETHYL ESTER
IUPAC Name	ethyl 2-oxo-2-pyridin-3-ylacetate
InChI	InChI=1S/C9H9NO3/c1-2-13-9(12)8(11)7-4-3-5-10-6-7/h3-6H,2H2,1H3
InChI Key	KVEJGPKUSPYFIE-UHFFFAOYSA-N
MDL Number	MFCD09842445
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	C(=O)(C(=O)OCC)c1cccnc1
Synonyms	ETHYL 2-OXO-2-(PYRIDIN-3-YL)ACETATE, 73672-37-4, AK-40228, ethyl 3-pyridylglyoxylate, ethyl 3-pyridineglyoxylate, SCHEMBL3218011, Ethyl oxo(pyridin-3-yl)acetate, CTK8B5556, KS-00000HGB, DTXSID20500097, KVEJGPKUSPYFIE-UHFFFAOYSA-N, ethyl 2-oxo-2-(3-pyridyl)acetate, ANW-49133, MFCD09842445, ZINC39236334, AKOS006310137, AN-2416, SB13717, AJ-99279, BBV-38311449, BR-40228, DS-13436, Oxo-pyridin-3-yl-acetic acid ethyl ester, SC-29038, AB0026492, AX8158604, TC-137878, 4CH-005769, ST24030527, W8172, S-6087, C9H9NO3,

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	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number