AG006WPS

4857-42-5 | 5-Isoxazolecarboxylicacid, 3-methyl-

AG006WPS

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CAS Number	4857-42-5
Catalog Number	AG006WPS(AGN-PC-0JX1R1)
Chemical Name	5-Isoxazolecarboxylicacid, 3-methyl-
EC Number	225-454-9
IUPAC Name	3-methyl-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChI Key	HXIYCKAAQPHZBM-UHFFFAOYSA-N
MDL Number	MFCD00464222
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	Cc1cc(on1)C(=O)O
Synonyms	3-methyl-5-isoxazolecarboxylic acid, 3-methyl-5-isoxazolecarboxylic acid, monosodium salt, 5-carboxy-3-methylisoxazole, 3-Methylisoxazole-5-carboxylic acid, 4857-42-5, 3-methyl-1,2-oxazole-5-carboxylic acid, 3-Methyl-5-isoxazolecarboxylic acid, 5-Isoxazolecarboxylic acid, 3-methyl-, 3-Methyl-isoxazole-5-carboxylic acid, 5-Isoxazolecarboxylicacid, 3-methyl-, 5-Carboxy-3-methylisoxazole, BAS 10142371, CHEMBL393428, HXIYCKAAQPHZBM-UHFFFAOYSA-N, MFCD00464222, 3-METHYLISOXAZOLE-5-CARBOXYLICACID, AC1LGWNR, ACMC-1ARUU, AC1Q2Q6P, 3-methyl-5-carboxyisoxazole, ARONIS24519, SCHEMBL222184, 3-methyl-5-carboxyl-isoxazole, CTK1D7521, KS-00000CZA, HMS1695I02, ZINC389129, ALBB-009979, KS-000048KT, ANW-30672, BBL016103, BDBM50211361, CL3463, SBB007337, STK341643, AKOS000302671, AS-5178, CS-W005033, DS-0689, MCULE-2998502701, QC-3998, RP00842, RTR-032260, AC-23153, AJ-20783, AK-29291, BC645510, BR-29291, SC-48644, ST073384, SY033484, 3-Methylisoxazole-5-carboxylic acid, 97%, AB0002040, ST2410801, TR-032260, 4CH-015624, AM20100200, BB 0250450, C2828, FT-0647857, M2953, W6481, EN300-13477, MFCD00464222 (95%), S-3689, 857M425, J-512915, Z90660974, F2124-0612, A4142/0176499, C5H5NO3, C5-H5-N-O3, EINECS 225-454-9, 3-Methyl-5-isoxazolylcarboxylic acid, CID853085,

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	0.6

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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