AG001CTM

1408075-90-0 | 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

AG001CTM

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CAS Number	1408075-90-0
Catalog Number	AG001CTM(AGN-PC-0WBRLU)
Chemical Name	5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
InChI	InChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-6-11(7-12)4-8(13)5-15-11/h4-7H2,1-3H3
InChI Key	KMHUVVBPRISZRL-UHFFFAOYSA-N
MDL Number	MFCD23105989
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C(N1CC2(OCC(C2)=O)C1)OC(C)(C)C
Synonyms	1408075-90-0, tert-butyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate, 2-Boc-5-oxa-7-oxo-2-azaspiro[3.4]octane, SCHEMBL19693776, ALBB-032671, KS-000007HG, ZINC95743297, AKOS025396159, PB37922, SB20673, AK173756, AS-51787, 2-Boc-5-oxa-2-azaspiro[3.4]octane-7-one, CS-0037179, Q-4749, 2-Boc-7-oxo-5-oxa-2-azaspiro[3.4]octane, 95%, Z2473348486, 2-(tert-Butoxycarbonyl)-2-aza-5-oxaspiro[3.4]octane-7-one, tert-Butyl 6-oxo-8-oxa-2-azaspiro[3.4]octane-2-carboxylate, 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.115758g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.115758g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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