AG000QF7

120155-43-3 | 4-Thiazoleacetic acid ethyl ester

AG000QF7

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CAS Number	120155-43-3
Catalog Number	AG000QF7(AGN-PC-0LGFAD)
Chemical Name	4-Thiazoleacetic acid ethyl ester
IUPAC Name	ethyl 2-(1,3-thiazol-4-yl)acetate
InChI	InChI=1S/C7H9NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h4-5H,2-3H2,1H3
InChI Key	UMCBKPOYFXBWBZ-UHFFFAOYSA-N
MDL Number	MFCD03011394
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	O=C(OCC)CC1=CSC=N1
Synonyms	120155-43-3, Ethyl 2-(4-Thiazolyl)acetate, 4-Thiazoleacetic acid ethyl ester, 4-Thiazoleacetic acid, ethyl ester, ethyl 1,3-thiazol-4-ylacetate, Ethyl 2-(1,3-thiazol-4-yl)acetate, Ethyl 2-(thiazol-4-yl)acetate, AC1NHB5K, Ethyl2-(4-Thiazolyl)acetate, SCHEMBL216664, KS-00000BRB, UMCBKPOYFXBWBZ-UHFFFAOYSA-N, ALBB-024716, thiazol-4-ylacetic acid ethyl ester, ZINC8227930, 6665AJ, MFCD03011394, SBB018924, AKOS002662835, MCULE-6963254656, TRA0076069, AJ-57384, AS-32017, CJ-13184, ST096330, SY023096, 1,3-thiazol-4-yl-acetic acid ethyl ester, AB0056270, Z-3372, MFCD03011394 (95+%), I14-16435, C7H9NO2S, CID4737345,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.214g/mol
Monoisotopic Mass	171.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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