AG000LI5

1240606-58-9 | Methyl 2-(pyrimidin-4-yl)acetate

AG000LI5

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CAS Number	1240606-58-9
Catalog Number	AG000LI5(AGN-PC-02R63T)
Chemical Name	Methyl 2-(pyrimidin-4-yl)acetate
IUPAC Name	ethyl 2-pyrimidin-4-ylacetate
InChI	InChI=1S/C8H10N2O2/c1-2-12-8(11)5-7-3-4-9-6-10-7/h3-4,6H,2,5H2,1H3
InChI Key	MYZVJNQHRQQRRV-UHFFFAOYSA-N
MDL Number	MFCD14706131
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	CCOC(=O)CC1=CC=NC=N1
Synonyms	Ethyl 2-(pyrimidin-4-yl)acetate, 1240606-58-9, 4-Pyrimidineacetic acid ethyl ester, 4-Pyrimidine acetic acid ethyl ester, Ethyl (pyrimidin-4-yl)acetate, SCHEMBL11371248, DTXSID80604762, MYZVJNQHRQQRRV-UHFFFAOYSA-N, KS-000001AN, 4-Pyrimidineacetic acid, ethyl ester, MFCD14706131, ZINC59711904, AKOS016008998, HP23005, TRA0059626, AK110551, DA-46815, AJ-113616, AX8232017, 4CH-024449, CS-0054939, FT-0716777, M6366, ST24046814, Ethyl2-(pyrimidin-4-yl)acetate,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

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