AG002QH5

2510-27-2 | 4-Isoxazoleacetic acid, 3,5-dimethyl-

AG002QH5

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CAS Number	2510-27-2
Catalog Number	AG002QH5(AGN-PC-0KBPDH)
Chemical Name	4-Isoxazoleacetic acid, 3,5-dimethyl-
IUPAC Name	2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
InChI	InChI=1S/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10)
InChI Key	ZEONKMXUCHNYRN-UHFFFAOYSA-N
MDL Number	MFCD05864546
Molecular Formula	C7H9NO3
Molecular Weight	155.1513
SMILES	O=C(O)CC1=C(C)ON=C1C
Synonyms	2510-27-2, 2-(3,5-dimethylisoxazol-4-yl)acetic acid, (3,5-Dimethyl-isoxazol-4-yl)-acetic acid, (3,5-dimethylisoxazol-4-yl)acetic acid, 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic Acid, (3,5-DIMETHYL-4-ISOXAZOLYL)ACETIC ACID, (3,5-dimethyl-1,2-oxazol-4-yl)acetic acid, 4-ISOXAZOLEACETIC ACID, 3,5-DIMETHYL-, 2-(3,5-dimethyl-4-isoxazolyl)acetic acid, 3,5-DIMETHYL-4-ISOXAZOLEACETIC ACID, 2-(DIMETHYL-1,2-OXAZOL-4-YL)ACETIC ACID, PubChem16718, AC1Q2Q8C, AC1Q2Q8D, AC1M145F, SCHEMBL2172793, CTK4F4975, DTXSID80366237, ZEONKMXUCHNYRN-UHFFFAOYSA-N, HMS1764O15, ALBB-000139, KS-00003HM7, ZINC2559697, 1962AB, 4-Isoxazoleaceticacid,3,5-dimethyl-, ANW-44579, BBL008536, HTS001764, MFCD05864546, SBB019005, STK282921, 3,5-dimethylisoxazol-4-ylacetic acid, 4-Isoxazoleacetic acid,3,5-dimethyl-, AKOS000264072, AB22813, BS-3857, CD-1916, MCULE-5670834149, (3,5-dimethylisoxazol-4-yl)-acetic acid, AJ-40327, AK-87060, SC-51982, AB0065770, AB1008864, DB-013072, ST2416060, ST4146311, TR-011489, BB 0219921, CS-0076820, FT-0677992, EN300-12222, K-6626, 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoic acid, 510D272, A817642, I14-10996, Z85919065, (3,5-dimethyl-isoxazol-4-yl)-acetic acid, AldrichCPR, F3379-0300, null, C7H9NO3, CID2063338, 4-Isoxazoleacetic acid, 3,5-dimethyl- (7CI,9CI),

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	155.153g/mol
Monoisotopic Mass	155.058g/mol
Rotatable Bond Count	2
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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