AG003Q1F

1346597-52-1 | Ethyl 2-(2-Methoxy-5-pyrimidinyl)-2-oxoacetate

AG003Q1F

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CAS Number	1346597-52-1
Catalog Number	AG003Q1F(AGN-PC-0J0Y5B)
Chemical Name	Ethyl 2-(2-Methoxy-5-pyrimidinyl)-2-oxoacetate
IUPAC Name	ethyl 2-(2-methoxypyrimidin-5-yl)-2-oxoacetate
InChI	InChI=1S/C9H10N2O4/c1-3-15-8(13)7(12)6-4-10-9(14-2)11-5-6/h4-5H,3H2,1-2H3
InChI Key	BENZQDKAHBKPQM-UHFFFAOYSA-N
MDL Number	MFCD20134207
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	CCOC(=O)C(=O)C1=CN=C(OC)N=C1
Synonyms	1346597-52-1, Ethyl 2-(2-Methoxy-5-pyrimidinyl)-2-oxoacetate, Ethyl 2-(2-methoxypyrimidin-5-yl)-2-oxoacetate, Ethyl (2-methoxypyrimidin-5-yl)(oxo)acetate, CTK8C2637, DTXSID90743656, KS-00000BM1, 6225AA, ANW-68724, MFCD20134207, ZINC75865445, AKOS016005722, TRA0000279, AS-32254, SY016040, AJ-122034, AX8217521, DB-021076, TC-157469, FT-0721275, K-4261, Ethyl2-(2-Methoxy-5-pyrimidinyl)-2-oxoacetate, MFCD20134207 (95+%), C9H10N2O4,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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