AG003MS2

98434-06-1 | 5-(Furan-2-yl)isoxazole-3-carboxylic acid

AG003MS2

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CAS Number	98434-06-1
Catalog Number	AG003MS2(AGN-PC-0K0E5X)
Chemical Name	5-(Furan-2-yl)isoxazole-3-carboxylic acid
IUPAC Name	5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C8H5NO4/c10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChI Key	MLWFYCMVBAIITM-UHFFFAOYSA-N
MDL Number	MFCD04113954
Molecular Formula	C8H5NO4
Molecular Weight	179.1296
SMILES	OC(=O)C1=NOC(=C1)C1=CC=CO1
Synonyms	98434-06-1, 5-(2-furyl)isoxazole-3-carboxylic acid, 5-Furan-2-yl-isoxazole-3-carboxylic acid, 5-(Furan-2-yl)isoxazole-3-carboxylic acid, 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid, BAS 07803752, 3-Isoxazolecarboxylic acid, 5-(2-furanyl)-, PubChem8776, akos pao-1387, AC1LLVH4, timtec-bb sbb007153, akos b022856, ChemDiv2_003289, art-chem-bb b022856, akos bbs-00006855, SCHEMBL569522, AC1Q748N, CTK3I6486, KS-00000CPY, DTXSID90360221, MLWFYCMVBAIITM-UHFFFAOYSA-N, HMS1378F11, ZINC810968, ALBB-013399, 6895AC, ANW-72801, BBL030217, MFCD04113954, SBB007153, STK347891, AKOS000263515, CS-W007055, MCULE-3962997492, RP24034, TRA0029326, VO10066, 5-(2-Furyl)isoxazole-3-carboxylicAcid, 5-Furan-2-yl-isoxazole-3-carboxylicacid, AJ-23953, AK-24139, AN-25347, SY015179, TS-00191, 5-(2-furanyl)-3-isoxazolecarboxylic acid, AB0065728, DB-057727, TC-161546, 4CH-024228, BB 0258736, FT-0642368, ST24044243, ST45092204, EN300-25489, L-4178, MFCD04113954 (95+%), 434F061, A845860, I04-0975, J-517573, 5-furan-2-yl-isoxazole-3-carboxylic acid, AldrichCPR, F2135-0506, Z212045160, C8H5NO4, CID1090982,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.131g/mol
Monoisotopic Mass	179.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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