AG001GXC

141704-11-2 | 2-Thiazoleacetic acid, ethyl ester

AG001GXC

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CAS Number	141704-11-2
Catalog Number	AG001GXC(AGN-PC-03GEM0)
Chemical Name	2-Thiazoleacetic acid, ethyl ester
IUPAC Name	ethyl 2-(1,3-thiazol-2-yl)acetate
InChI	InChI=1S/C7H9NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h3-4H,2,5H2,1H3
InChI Key	OTMKLBXQEYBHJE-UHFFFAOYSA-N
MDL Number	MFCD12114489
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	S1C=CN=C1CC(=O)OCC
Synonyms	Ethyl 2-(thiazol-2-yl)acetate, 141704-11-2, ethyl 2-(1,3-thiazol-2-yl)acetate, 2-Thiazoleacetic acid, ethyl ester, Ethyl 2-(2-Thiazolyl)acetate, ethoxy-carbonylmethylthiazole, Ethyl2-(2-Thiazolyl)acetate, SCHEMBL2658210, CTK4C2764, KS-00000BSF, DTXSID90618638, 2-Thiazoleacetic acid ethyl ester, OTMKLBXQEYBHJE-UHFFFAOYSA-N, Ethyl (1,3-thiazol-2-yl)acetate, Thiazole-2-acetic acid ethyl ester, ANW-49457, MFCD12114489, ZINC36912358, AKOS009866728, CS-W003823, GS-4042, RP23357, AJ-93430, AK-31363, BR-31363, CJ-18994, SY025747, AB0022265, DB-023507, ST2412912, TR-035695, 4CH-009264, FT-0716715, W3087, J3.559.614C, MFCD12114489 (95%), S-5577, J-520655, C7H9NO2S,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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