AG00BEG2

212621-63-1 | Ethyl 3-oxo-3-thiazol-2-yl-propionate

AG00BEG2

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CAS Number	212621-63-1
Catalog Number	AG00BEG2(AGN-PC-0QXS9K)
Chemical Name	Ethyl 3-oxo-3-thiazol-2-yl-propionate
IUPAC Name	ethyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate
InChI	InChI=1S/C8H9NO3S/c1-2-12-7(11)5-6(10)8-9-3-4-13-8/h3-4H,2,5H2,1H3
InChI Key	IYGKPDXKHOZVBQ-UHFFFAOYSA-N
MDL Number	MFCD04114372
Molecular Formula	C8H9NO3S
Molecular Weight	199.2270
SMILES	O=C(OCC)CC(C1=NC=CS1)=O
Synonyms	212621-63-1, ETHYL 3-OXO-3-THIAZOL-2-YL-PROPIONATE, ETHYL 3-OXO-3-(THIAZOL-2-YL)PROPANOATE, 3-Oxo-3-thiazol-2-yl-propionic acid ethyl ester, ETHYL 3-OXO-3-(1,3-THIAZOL-2-YL)PROPANOATE, SCHEMBL1489443, CTK4E6229, DTXSID50628536, IYGKPDXKHOZVBQ-UHFFFAOYSA-N, ETHYL-2-THIAZOLOYL-ACETATE, ZINC2599174, 4071AJ, MFCD04114372, AKOS006294163, AB18174, AJ-43912, AS-37794, AX8028039, RT-012588, FT-0723586, A-2428, C8H9NO3S,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.224g/mol
Monoisotopic Mass	199.03g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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