AG002QH1

2510-36-3 | 4-Isoxazolecarboxylic acid, 3,5-dimethyl-

AG002QH1

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CAS Number	2510-36-3
Catalog Number	AG002QH1(AGN-PC-0JLPHO)
Chemical Name	4-Isoxazolecarboxylic acid, 3,5-dimethyl-
EC Number	219-724-5
IUPAC Name	3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChI Key	IJEUISLJVBUNRE-UHFFFAOYSA-N
MDL Number	MFCD00051657
Molecular Formula	C6H7NO3
Molecular Weight	141.1247
SMILES	O=C(C1=C(C)ON=C1C)O
Synonyms	3,5-Dimethylisoxazole-4-carboxylic acid, 2510-36-3, 3,5-Dimethylisoxasole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 3,5-Dimethyl-4-isoxazolecarboxylic acid, dimethyl-1,2-oxazole-4-carboxylic acid, 3,5-Dimethyl-isoxazole-4-carboxylic acid, MFCD00051657, 3,5-dimethyl-1,2-oxazole-4-carboxylic acid, IJEUISLJVBUNRE-UHFFFAOYSA-N, 3,5-Dimethylisoxazole-4-carboxylicacid, 3,5-Dimethylisoxazole-4-carboxylic acid, 98%, EINECS 219-724-5, ZERO/005085, PubChem8774, akos pao-1555, ACMC-1CHXY, rarechem al bo 0995, AC1Q5TJI, timtec-bb sbb004158, buttpark 27\08-43, KSC202A2T, SCHEMBL223413, AC1L2P71, AC1Q2Q87, CTK1A2029, DTXSID00179785, HMS1631B07, WT780, ZINC112526, dimethylisoxazole-4-carboxylic acid, ALBB-000199, ANW-25618, BBL028030, SBB004158, STK288427, AKOS000300381, 3,5-dimethylisoxazole4-carboxylic acid, AB02135, CS-W002245, MCULE-1008791205, QC-1239, RP01281, TRA0025539, VO10031, WT82298, 3,5-dimethyl isoxazole-4-carboxylic acid, 4-Isoxazolecarboxylicacid, 3,5-dimethyl-, AJ-11390, AK-40048, BAS 03220386, BR-40048, SY007292, 3,5-Dimethyl-4-isoxazolecarboxylic acid #, AB0003833, AB1008643, ST2410317, ST4094292, TR-032616, 4CH-001841, AM20090290, BB 0240552, D4603, FT-0614696, W4830, MFCD00051657 (98%), C-1080, 510D363, 11X-0244, W-206926, 2510-36-3 3,5-dimethylisoxazole-4-carboxylic acid, F2173-0024, C6H7NO3, C6-H7-N-O3, CID75636, AR-1G3022, 3,5-Dimethylisoxazole-4-carboxylic acid, 98% - 1G 1g, 255-53-8,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.126g/mol
Monoisotopic Mass	141.043g/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-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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