AG003MWA

3405-77-4 | 5-Methylisoxazole-3-carboxylic acid

AG003MWA

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CAS Number	3405-77-4
Catalog Number	AG003MWA(AGN-PC-0CD1G5)
Chemical Name	5-Methylisoxazole-3-carboxylic acid
EC Number	222-289-4
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
InChI Key	BNMPIJWVMVNSRD-UHFFFAOYSA-N
MDL Number	MFCD01318162
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	C(=O)(O)c1cc(on1)C
Synonyms	5-Methylisoxazole-3-carboxylic acid, 3405-77-4, 5-methyl-1,2-oxazole-3-carboxylic acid, 5-methylisoxazole-3-carboxylicacid, 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 5-methyl-isoxazole-3-carboxylic acid, 5-methyl-3-isoxazolecarboxylic acid, 3-Isoxazolecarboxylicacid, 5-methyl-, MFCD01318162, EINECS 222-289-4, PubChem15552, AC1Q2QNM, AC1L2S0U, AC1Q2HA9, KSC224C5P, ARONIS24549, SCHEMBL286771, 5-methylisoxazol-3-carbonsaure, ACMC-209i51, AMOT0306, 5-methylisoxazole carboxylic acid, CTK1C4157, BNMPIJWVMVNSRD-UHFFFAOYSA-N, 5-methyl-isoxazole-carboxylic acid, HMS1754B06, ZINC158679, 5-methyl-3-isoxazolecarboxlic acid, 3-CARBOXY-5-METHYLISOXAZOLE, ACT03789, ALBB-000121, STR04361, EINECS 225-454-9, 5-Methyl-3-isooxazolecarboxylic acid, ANW-27779, BBL015822, RW3117, SBB005437, STK260850, 5-methyl-3-isoxazole carboxylic acid, AKOS000263471, AN-1475, AS-5028, CM-1047, CS-W007575, MCULE-5247185976, QC-2042, RP00840, RTC-064476, TRA0068046, VO10072, AC-22739, AJ-15303, AK-25795, BC650587, BR-25795, EN001266, SC-24000, SY010127, AB0001126, AB1008122, DB-013170, ST2418826, TC-064476, TL8007308, 4CH-013462, A6015, AM20090521, BB 0237313, C2633, FT-0620625, M2405, ST45123257, W5556, AZ0001-0051, A-2931, MFCD01318162 (97+%), I14-4631, J-019440, J-517816, Z55992970, F1984-0188, 1267623-84-6, null, Isoxazole Acid, C5H5NO3, 644676_ALDRICH, 3-Methylisoxazole-5-carboxylic acid, C5-H5-N-O3, CID76947, 3-Isoxazolecarboxylicacid,5-methyl-, 3-Methyl-5-isoxazolecarboxylic acid, 5-Methyl-4-isoxazolecarboxylic acid, AR-1G9024, ACN-039239, CB10494, 5-Methylisoxazole-3-carboxylic acid, 98.5% - 1G 1g, 42831-50-5, 4857-42-5, N/A, 5112-47-0,

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	0.7

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