AG0093S4

1202769-66-1 | 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol

AG0093S4

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CAS Number	1202769-66-1
Catalog Number	AG0093S4(AGN-PC-0WG37Z)
Chemical Name	2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
IUPAC Name	2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
InChI	InChI=1S/C8H9NO2/c1-4-8(3,10)7-5-6(2)11-9-7/h1,5,10H,2-3H3
InChI Key	YUGDGZWIUSSLGX-UHFFFAOYSA-N
MDL Number	MFCD21364447
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
SMILES	CC(O)(C1=NOC(C)=C1)C#C
Synonyms	2-(5-methylisoxazol-3-yl)but-3-yn-2-ol, 1202769-66-1, 2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol, AK340643, SCHEMBL1822514, KS-00000LEI, YUGDGZWIUSSLGX-UHFFFAOYSA-N, MFCD21364447, FCH1563553, DA-14503, DS-12188, FT-0703414, racemic 2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol, ACN-040639,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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