AG0016WJ

1221818-81-0 | 7-[(tert-Butoxy)carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

AG0016WJ

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CAS Number	1221818-81-0
Catalog Number	AG0016WJ(AGN-PC-00KFDN)
Chemical Name	7-[(tert-Butoxy)carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC Name	7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
InChI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChI Key	XRDRXGVDCVQVPV-UHFFFAOYSA-N
MDL Number	MFCD14581084
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	O=C(C1C(N2C(OC(C)(C)C)=O)CCC2C1)O
Synonyms	1221818-81-0, 7-(tert-Butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, 7-boc-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, 7-[(tert-butoxy)carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, 249291-76-7, 711082-67-6, 918411-46-8, (1S,2S,4R)-7-(tert-Butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, 7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid, (+/-)-endo-7-Boc-7-azabicyclo[2.2.1]heptan-2-yl carboxylic acid, SCHEMBL5233802, CTK4F4650, KS-00000SCS, DTXSID90433828, (2S)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 1260589-42-1, 500556-91-2, MFCD18433537, AKOS013440787, DS-8186, NE16327, SB11183, AK154843, SC-29357, 4CH-017570, ST24045572, EN300-77234, 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylicacid, 7-ethyl ester, 7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, (1R,2R,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, (1R,2S,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, (1S,2S,4R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid, ACN-039466, CID9991928, 7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-6-carboxylic Acid,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.287g/mol
Monoisotopic Mass	241.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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