AG00EE9Z

57764-49-5 | 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

AG00EE9Z

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CAS Number	57764-49-5
Catalog Number	AG00EE9Z(AGN-PC-000ML6)
Chemical Name	1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
IUPAC Name	ethyl 1,2-benzoxazole-3-carboxylate
InChI	InChI=1S/C10H9NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)14-11-9/h3-6H,2H2,1H3
InChI Key	IRTACBSCHHOIPA-UHFFFAOYSA-N
MDL Number	MFCD06659787
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O1C2=C(C(=N1)C(=O)OCC)C=CC=C2
Synonyms	ethyl benzo[d]isoxazole-3-carboxylate, 57764-49-5, ethyl 1,2-benzoxazole-3-carboxylate, Ethyl 1,2-Benzisoxazole-3-carboxylate, 1,2-Benzisoxazole-3-carboxylic Acid Ethyl Ester, MFCD06659787, AK-31279, 1,2-Benzisoxazole-3-carboxylic acid, ethyl ester, ethyl benzo(d)isoxazole-3-carboxylate, 40991-36-4, ACMC-209m09, SCHEMBL1572943, ethyl 3-benzisoxazolylcarboxylate, DTXSID00557044, Ethyl benzisoxazole-3-carboxylate, IRTACBSCHHOIPA-UHFFFAOYSA-N, 3-Ethoxycarbonyl-1,2-benzisoxazole, KS-00000I5L, ANW-32791, FCH921274, ZINC34241903, AKOS006346723, ethyl-1,2-benzisoxazole-3-carboxylate, AB26307, CS-W006634, DS-0749, RP25085, ACM40991364, ethyl 1,2-benzoisoxazole-3-carboxylate, ethyl 1.2-benzoisoxazole-3-carboxylate, AJ-87614, BR-31279, SC-47808, AB0025619, AX8164453, TR-037150, 4CH-008998, E0731, ST24030677, W7108, 1,2-Benzisoxazole-3-carboxylic acid ethylester, 1,2-benzoxazole-3-carboxylic acid ethyl ester, A-2501, A831585, J-521243, C10H9NO3, Ethylbenzo[d]isoxazole-3-carboxylate,

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	2.3

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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