AG007U8C

1711-88-2 | 1,3,4-Oxadiazol-2(3H)-one,5-(1-methylethyl)-

AG007U8C

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CAS Number	1711-88-2
Catalog Number	AG007U8C(AGN-PC-0JPJQ7)
Chemical Name	1,3,4-Oxadiazol-2(3H)-one,5-(1-methylethyl)-
IUPAC Name	5-propan-2-yl-3H-1,3,4-oxadiazol-2-one
InChI	InChI=1S/C5H8N2O2/c1-3(2)4-6-7-5(8)9-4/h3H,1-2H3,(H,7,8)
InChI Key	YUJVMSLMIGONMN-UHFFFAOYSA-N
MDL Number	MFCD04972518
Molecular Formula	C5H8N2O2
Molecular Weight	128.1292
SMILES	O=C1OC(C(C)C)=NN1
Synonyms	1711-88-2, 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-, 5-(1-Methylethyl)-1,3,4-oxadiazol-2(3H)-one, 5-(propan-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one, 5-Isopropyl-1,3,4-oxadiazol-2(3H)-one, 1,3,4-Oxadiazol-2(3H)-one,5-(1-methylethyl)-, AC1L4BIL, SCHEMBL461489, DTXSID1075191, SCHEMBL10197115, CTK4D3849, ZINC2540022, ODC100127, AKOS013465883, AKOS022535189, AC-13172, AJ-38979, DB-064814, 5-propan-2-yl-3H-1,3,4-oxadiazol-2-one, FT-0692746, 5-(1-methyl ethyl)-1,3,4-oxadiazol-2(3h)-one, 5-Isopropyl-2,3-dihydro-1,3,4-oxadiazole-2-one, C5-H8-N2-O2, CID154001,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.059g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.131g/mol
Monoisotopic Mass	128.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code	\N

Certificate of Analysis

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