AG0069L2

98140-73-9 | 3-Isoxazol-5-ylpropanoic acid

AG0069L2

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CAS Number	98140-73-9
Catalog Number	AG0069L2(AGN-PC-0LPWQ9)
Chemical Name	3-Isoxazol-5-ylpropanoic acid
IUPAC Name	3-(1,2-oxazol-5-yl)propanoic acid
InChI	InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-7-10-5/h3-4H,1-2H2,(H,8,9)
InChI Key	YFYBODHSQLOQOF-UHFFFAOYSA-N
MDL Number	MFCD07788406
Molecular Formula	C6H7NO3
Molecular Weight	141.1247
SMILES	N1=CC=C(CCC(O)=O)O1
Synonyms	98140-73-9, 3-(Isoxazol-5-yl)propanoic acid, 3-Isoxazol-5-ylpropanoic acid, 5-Isoxazolepropanoicacid, 3-(5-isoxazolyl)propanoic acid, 3-Isoxazol-5-yl-propionic acid, 5-Isoxazolepropanoic acid, 3-(1,2-oxazol-5-yl)propanoic acid, EC-000.1935, AC1NSLKO, BAS 05510312, CTK3I6213, DTXSID80415537, ALBB-012816, ZINC4997825, ZX-AN011612, ZX-CM004890, 6864AC, FCH857708, MFCD07788406, SBB013802, STK661679, AKOS000538949, FS-6481, MCULE-2698728972, AJ-52883, AB0180506, AX8173522, ST4131951, TR-050452, BB 0261756, Y-3250, A4142/0176505, C6H7NO3, CID5311905, 2-METHYL-N-(2-PYRIDINYLMETHYL)-2-PROPANAMINE,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.126g/mol
Monoisotopic Mass	141.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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