AG001CF8

1404370-64-4 | 5-Benzoxazolecarboxylic acid, ethyl ester

AG001CF8

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CAS Number	1404370-64-4
Catalog Number	AG001CF8(AGN-PC-03H4KG)
Chemical Name	5-Benzoxazolecarboxylic acid, ethyl ester
IUPAC Name	ethyl 1,3-benzoxazole-5-carboxylate
InChI	InChI=1S/C10H9NO3/c1-2-13-10(12)7-3-4-9-8(5-7)11-6-14-9/h3-6H,2H2,1H3
InChI Key	NYONLFVSTRIQFN-UHFFFAOYSA-N
MDL Number	MFCD22682802
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(C1=CC=C(OC=N2)C2=C1)OCC
Synonyms	Ethyl 5-Benzoxazolecarboxylate, 1404370-64-4, ethyl 1,3-benzoxazole-5-carboxylate, Ethyl5-Benzoxazolecarboxylate, SCHEMBL5009974, KS-00000BQ7, Ethyl benzo[d]oxazole-5-carboxylate, 6790AJ, MFCD22682802, ZINC90470775, AKOS025404349, FCH2307669, TRA0026186, AS-32230, SY022498, TC-308308, CS-0044462, FT-0726297, Z-4714, MFCD22682802 (97+%), C10H9NO3, 5-Benzoxazolecarboxylic acid ethyl ester, 1445-45-0,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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