AG00HVGS

1391738-60-5 | tert-Butyl 6,8-dioxo-3,7,9-triazaspiro[4.4]nonane-3-carboxylate

AG00HVGS

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CAS Number	1391738-60-5
Catalog Number	AG00HVGS(AGN-PC-0WBRJV)
Chemical Name	tert-Butyl 6,8-dioxo-3,7,9-triazaspiro[4.4]nonane-3-carboxylate
IUPAC Name	tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
InChI	InChI=1S/C11H17N3O4/c1-10(2,3)18-9(17)14-5-4-11(6-14)7(15)12-8(16)13-11/h4-6H2,1-3H3,(H2,12,13,15,16)
InChI Key	VLKKAIKVRQFMFD-UHFFFAOYSA-N
MDL Number	MFCD22372527
Molecular Formula	C11H17N3O4
Molecular Weight	255.2704
SMILES	O=C(N(CC1)CC1(NC(N2)=O)C2=O)OC(C)(C)C
Synonyms	tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate, 1391738-60-5, tert-Butyl 6,8-dioxo-3,7,9-triazaspiro[4.4]nonane-3-carboxylate, MFCD22372527, AKOS017502176, MCULE-2821787131, KS-0000054C, AS-54915, CS-0036160, 7-Boc-2,4-Dioxo-1,3,7-triazaspiro[4.4]nonane, Z1234068360,

Complexity	415
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.274g/mol
Monoisotopic Mass	255.122g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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