AG0095A2

1209319-87-8 | tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate

AG0095A2

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CAS Number	1209319-87-8
Catalog Number	AG0095A2(AGN-PC-07CT09)
Chemical Name	tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC Name	tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
InChI	InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-8-5-13(6-9-15)4-7-14-10(16)18-13/h4-9H2,1-3H3,(H,14,16)
InChI Key	CYBYEGNEBRILCO-UHFFFAOYSA-N
MDL Number	MFCD11109902
Molecular Formula	C13H22N2O4
Molecular Weight	270.3248
SMILES	O=C(N(CC1)CCC21CCNC(O2)=O)OC(C)(C)C
Synonyms	1209319-87-8, tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate, tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro-[5.5]undecane-9-carboxylate, 2-oxo-1-oxa-3,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl ester, SCHEMBL12184487, DTXSID60670501, MFCD11109902, ZINC40448758, AKOS015899463, DS-3052, AK-26517, AJ-102986, DB-023277, ST2407646, 4CH-017084, CS-0089890, FT-0705655, 9-Boc-1-oxa-3,9-diazaspiro[5.5]undecane-2-one, 9-Boc-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane, S12-0087, I14-12783, F2147-3049, CYBYEGNEBRILCO-UHFFFAOYSA-N, 2-oxo-1-Oxa-3,9-diazaspiro[5.5]undecane-9-carboxylic acid 1,1-dimethylethyl ester,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.158g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.329g/mol
Monoisotopic Mass	270.158g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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