AG000N5W

1251002-42-2 | 6-Azaspiro[3.4]octane-2,6-dicarboxylic acid, 6-(1,1-dimethylethyl) ester

AG000N5W

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CAS Number	1251002-42-2
Catalog Number	AG000N5W(AGN-PC-0WABSF)
Chemical Name	6-Azaspiro[3.4]octane-2,6-dicarboxylic acid, 6-(1,1-dimethylethyl) ester
IUPAC Name	6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylic acid
InChI	InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-5-4-13(8-14)6-9(7-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChI Key	QLUYLNWFJLLXOV-UHFFFAOYSA-N
MDL Number	MFCD17016204
Molecular Formula	C13H21NO4
Molecular Weight	255.3101
SMILES	O=C(C1CC2(CN(C(OC(C)(C)C)=O)CC2)C1)O
Synonyms	1251002-42-2, 6-Boc-6-Aza-spiro[3.4]octane-2-carboxylic acid, 6-(tert-butoxycarbonyl)-6-azaspiro[3.4]octane-2-carboxylic acid, 6-[(tert-butoxy)carbonyl]-6-azaspiro[3.4]octane-2-carboxylic acid, MFCD17016204, ZINC91368452, AKOS016015864, AM91430, FCH1622199, PB13753, KS-000006S2, AK172128, AS-34376, OR312316, CS-0050356, Q-4182, 6-Boc-6-azaspiro[3.4]octane-2-carboxylic acid, 7-TERT-BUTOXYCARBONYL-7-AZASPIRO[3.4]OCTANE-2-CARBOXYLIC ACID, 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylic acid, R188,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.147g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.314g/mol
Monoisotopic Mass	255.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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