AG001RN0

160060-21-9 | 4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester

AG001RN0

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CAS Number	160060-21-9
Catalog Number	AG001RN0(AGN-PC-0MWVBW)
Chemical Name	4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester
IUPAC Name	ethyl 2-acetyl-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C8H9NO3S/c1-3-12-8(11)6-4-13-7(9-6)5(2)10/h4H,3H2,1-2H3
InChI Key	WBRRJINEWZWGLJ-UHFFFAOYSA-N
MDL Number	MFCD18833743
Molecular Formula	C8H9NO3S
Molecular Weight	199.2270
SMILES	C(=O)(OCC)c1nc(sc1)C(=O)C
Synonyms	Ethyl 2-acetylthiazole-4-carboxylate, 160060-21-9, 4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester, Ethyl 2-acetyl-1,3-thiazole-4-carboxylate, SCHEMBL1531795, DTXSID70433760, MFCD18833743, ZINC34061419, AKOS023096184, AK348476, BP-20663, DS-12695, 2-Acetylthiazole-4-carboxylic acid ethyl ester, 4-thiazolecarboxylic acid,2-acetyl-,ethyl ester, 2-ACETYL-4-THIAZOLECARBOXYLIC ACID ETHYL ESTER, CID9990348, 4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester (9CI),

Complexity	219
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	4
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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