AG000B5F

114364-42-0 | Hexahydro-2H-Cyclopenta[D]Oxazol-2-One

AG000B5F

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CAS Number	114364-42-0
Catalog Number	AG000B5F(AGN-PC-00OA7P)
Chemical Name	Hexahydro-2H-Cyclopenta[D]Oxazol-2-One
IUPAC Name	3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-2-one
InChI	InChI=1S/C6H9NO2/c8-6-7-4-2-1-3-5(4)9-6/h4-5H,1-3H2,(H,7,8)
InChI Key	BYBIMGJXEDBVDP-UHFFFAOYSA-N
MDL Number	MFCD19218341
Molecular Formula	C6H9NO2
Molecular Weight	127.1412
SMILES	O=C1OC(CCC2)C2N1
Synonyms	hexahydro-2H-cyclopenta[d]oxazol-2-one, 114364-42-0, 2H-Cyclopentoxazol-2-one, hexahydro-, ACMC-20mk4s, SCHEMBL14518845, CTK0C7425, DTXSID70551610, FCH952944, MFCD19218341, AKOS006353420, RL00566, AK132782, AX8253705, CS-0062219, ST24047374, 2H-Cyclopentoxazol-2-one, hexahydro- (9CI), Hexahydro-2H-cyclopenta[d][1,3]oxazol-2-one, J-521447, 3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-2-one,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.143g/mol
Monoisotopic Mass	127.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

Lot Number