AG001CTF

1408074-46-3 | 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester

AG001CTF

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CAS Number	1408074-46-3
Catalog Number	AG001CTF(AGN-PC-0WCKX0)
Chemical Name	5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
InChI	InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(7-12)4-8(13)5-15-11/h8,13H,4-7H2,1-3H3
InChI Key	PWCXTAYTSYDZTN-UHFFFAOYSA-N
MDL Number	MFCD23105990
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	CC(C)(C)OC(=O)N1CC2(C1)CC(O)CO2
Synonyms	1408074-46-3, tert-butyl 7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate, SCHEMBL15777271, PWCXTAYTSYDZTN-UHFFFAOYSA-N, KS-000007HH, MFCD23105990, AKOS030233326, PB38522, SB20674, AS-51788, CS-0048136, Q-4750, 2-Boc-7-hydroxy-5-oxa-2-azaspiro[3.4]octane, 2-Boc-6-hydroxy-8-oxa-2-azaspiro[3.4]octane, >=95%, tert-Butyl (7R)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate, tert-Butyl (7S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate, 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester, 1453316-08-9, 2165563-31-3, 2-Boc-5-hydroxy-7-oxo-2-azaspiro[3.4]octane, 2-Boc-5-oxa-7-oxo-2-azaspiro[3.4]octane,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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