AG002RSX

261350-46-3 | 5-Isoxazolecarboxylic acid, 4-methyl-

AG002RSX

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CAS Number	261350-46-3
Catalog Number	AG002RSX(AGN-PC-0NL2PK)
Chemical Name	5-Isoxazolecarboxylic acid, 4-methyl-
IUPAC Name	4-methyl-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C5H5NO3/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key	RITPLLYUVXGBFT-UHFFFAOYSA-N
MDL Number	MFCD08235209
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	O=C(C1=C(C)C=NO1)O
Synonyms	4-Methylisoxazole-5-carboxylic acid, 261350-46-3, 4-Methyl-1,2-oxazole-5-carboxylic acid, zlchem 883, 5-Carboxy-4-methylisoxazole, SCHEMBL3989960, CTK1A1276, KS-00000KHB, DTXSID80579087, ZLD0344, RITPLLYUVXGBFT-UHFFFAOYSA-N, 4-Methylisoxazole-5-carboxylicacid, ACT04096, 4-Methyl-5-isoxazolecarboxylic acid, 2244AB, ANW-60016, MFCD08235209, SBB053162, ZINC16124590, 4-Methyl-isoxazole-5-carboxylic acid, 5-Isoxazolecarboxylicacid, 4-methyl-, AKOS006380112, 5-Isoxazolecarboxylic acid, 4-methyl-, AC-5225, MCULE-6322970071, PS-5715, RP19726, AJ-68358, AK-25674, AM807046, AN-11184, SY025616, AB0048296, AB1010195, DB-011146, CS-0085284, FT-0648511, MFCD08235209 (97%), K-6770, 4-methylisoxazole-5-carboxylic acid, AldrichCPR, 350M463, J-016272, J-515788, I14-11208, Z1295543884, null, C5H5NO3,

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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