AG0037S1

485807-08-7 | Ethyl 5-aminoisoxazole-3-carboxylate

AG0037S1

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CAS Number	485807-08-7
Catalog Number	AG0037S1(AGN-PC-00JOQM)
Chemical Name	Ethyl 5-aminoisoxazole-3-carboxylate
IUPAC Name	ethyl 5-amino-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C6H8N2O3/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2,7H2,1H3
InChI Key	AUERXJBPNRKJCS-UHFFFAOYSA-N
MDL Number	MFCD13174972
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
SMILES	NC1=CC(=NO1)C(=O)OCC
Synonyms	Ethyl 5-aminoisoxazole-3-carboxylate, 485807-08-7, ethyl 5-amino-1,2-oxazole-3-carboxylate, 3-ISOXAZOLECARBOXYLIC ACID, 5-AMINO-, ETHYL ESTER, CTK8C1677, DTXSID40475713, KS-00000QL9, 6626AB, ANW-67057, BBL101689, MFCD13174972, STL555485, ZINC39057858, AKOS007930036, AJ-97740, AK-90028, DS-16781, TC-155802, CS-0043938, 5-Amino-3-isoxazole carboxylic acid ethyl ester, 3-Isoxazolecarboxylicacid,5-amino-,ethylester(9CI), C6H8N2O3, 3-Isoxazolecarboxylic acid, 5-amino-, ethyl ester (9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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