AG002VSR

285996-76-1 | 1-tert-Butoxycarbonylamino-4-oxo-cyclohexanecarboxylic acid

AG002VSR

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CAS Number	285996-76-1
Catalog Number	AG002VSR(AGN-PC-04Q6E9)
Chemical Name	1-tert-Butoxycarbonylamino-4-oxo-cyclohexanecarboxylic acid
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylic acid
InChI	InChI=1S/C12H19NO5/c1-11(2,3)18-10(17)13-12(9(15)16)6-4-8(14)5-7-12/h4-7H2,1-3H3,(H,13,17)(H,15,16)
InChI Key	LFRYGIDGYXKHNS-UHFFFAOYSA-N
MDL Number	MFCD04115505
Molecular Formula	C12H19NO5
Molecular Weight	257.2830
SMILES	O=C(C1(NC(OC(C)(C)C)=O)CCC(CC1)=O)O
Synonyms	285996-76-1, 1-(BOC-AMINO)-4-OXOCYCLOHEXANECARBOXYLIC ACID, 1-((tert-Butoxycarbonyl)amino)-4-oxocyclohexanecarboxylic acid, 1-BOC-amino-4-oxo-cyclohexanecarboxylic acid, 1-TERT-BUTOXYCARBONYLAMINO-4-OXO-CYCLOHEXANECARBOXYLIC ACID, Cyclohexanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, SCHEMBL1953820, CTK1A0674, KS-00000AIY, DTXSID40646966, LFRYGIDGYXKHNS-UHFFFAOYSA-N, ZINC2527615, 5156AJ, MFCD04115505, AKOS016035827, AB20144, FCH1623645, GS-5425, TRA-0193041, AJ-38093, AK-83979, SC-66787, SY015533, AB0063809, AX8248004, DB-024192, TC-306598, TX-015445, FT-0724048, 1-(Boc-amino)-4-oxocyclohexanecarboxylicAcid, Z-4322, MFCD04115505 (95+%), 1-(tert-Butoxycarbonylamino)-4-oxocyclohexanecarboxylic acid, 1-tert.-butoxycarbonylamino-4-oxo-cyclohexanecarboxylic acid, 1-[(tert-Butoxycarbonyl)amino]-4-oxocyclohexane-1-carboxylic acid, 1-{[(tert-butoxy)carbonyl]amino}-4-oxocyclohexane-1-carboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylic acid, CYCLOHEXANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-4-OXO-, C12H19NO5, Cyclohexanecarboxylicacid,1-[[ carbonyl]amino]-4-oxo-, Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo- (9CI), 1391463-17-4,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.126g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.286g/mol
Monoisotopic Mass	257.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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