AG003MVO

42831-50-5 | 5-Methylisoxazole-4-carboxylic acid

AG003MVO

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CAS Number	42831-50-5
Catalog Number	AG003MVO(AGN-PC-0K508Y)
Chemical Name	5-Methylisoxazole-4-carboxylic acid
IUPAC Name	5-methyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)
InChI Key	VQBXUKGMJCPBMF-UHFFFAOYSA-N
MDL Number	MFCD00038660
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	O=C(C1=C(C)ON=C1)O
UNII	BL2Q213Q2M
Synonyms	5-Methylisoxazole-4-carboxylic acid, 42831-50-5, 5-Methyl-4-isoxazolecarboxylic acid, 5-methyl-1,2-oxazole-4-carboxylic acid, UNII-BL2Q213Q2M, MFCD00955655, 4-Isoxazolecarboxylic acid, 5-methyl-, BL2Q213Q2M, 5-Methylisoxazole-4-carboxylicacid, Leflunomide impurity D [EP], PubChem8652, Leflunomide Impurity D, AC1LROZ6, AC1Q2EVF, AC1Q2EVG, ACMC-209jr8, EC 700-400-1, KSC235O3B, SCHEMBL439222, 5-Methylisoxazole-4-carboxylic, CHEMBL1213609, CTK1D5730, KS-00000CCZ, VQBXUKGMJCPBMF-UHFFFAOYSA-, DTXSID20195503, VQBXUKGMJCPBMF-UHFFFAOYSA-N, ALBB-005390, Leflunomide impurity, 5-methylisoxazole-carboxylic acid- [USP], STR05924, ZINC1318759, 4-Isoxazolecarboxylic acid,5-Methyl, 5-Methyl-4-isooxazolecarboxylic acid, ANW-29874, BBL005445, CM-108, SBB005909, STK503383, 4-Isoxazolecarboxylicacid, 5-methyl-, 5-methyl-isoxazole-4-carboxylic acid, 5-Methylisoxazol-4-yl carboxylic acid, AKOS001435060, AC-8361, AN-8089, CS-W011150, M2622G1, MCULE-3852480189, PS-3713, RP00841, RTC-069178, TRA0021089, AJ-25377, AK-32464, BP-10056, BR-32464, SC-04454, SY003327, 5-methyl-1,2-oxazole -4-carboxylic acid, 5-Methylisoxazole-4-carboxylic acid, 97%, 5-METHYL-4-ISOXASOLECARBOXYLIC ACID, AB0001112, AB1001583, ST2412104, TC-069178, TL8003034, AM20100131, BB 0237695, FT-0620664, M1740, ST50411836, EN300-26675, MFCD00955655 (98%), B-2194, 831M505, I04-0363, I14-8389, Q-100476, F2191-0120, Z271099562, InChI=1/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8), C5H5NO3, CID1425240, 5-Methylisoxazole-4-carboxylic acid, 99% - 25G 25g, (1s, 2s)-(1-benzyl-3-chloro-2-hydroxy-propyl)-carbamic acid tert-butyl ester, 165727-45-7,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.099g/mol
Monoisotopic Mass	127.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

Lot Number