AG00DKTO

444344-91-6 | 4-(BenzyloxycarbonylaMino)bicyclo[2.2.2]octane-1-carboxyli- -cacid

AG00DKTO

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CAS Number	444344-91-6
Catalog Number	AG00DKTO(AGN-PC-0N8ERP)
Chemical Name	4-(BenzyloxycarbonylaMino)bicyclo[2.2.2]octane-1-carboxyli- -cacid
IUPAC Name	4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid
InChI	InChI=1S/C17H21NO4/c19-14(20)16-6-9-17(10-7-16,11-8-16)18-15(21)22-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,21)(H,19,20)
InChI Key	LFCUXTYUESPPGC-UHFFFAOYSA-N
MDL Number	MFCD22741481
Molecular Formula	C17H21NO4
Molecular Weight	303.3529
SMILES	OC(=O)C12CCC(CC1)(CC2)NC(=O)OCC1=CC=CC=C1
Synonyms	444344-91-6, 4-(Benzyloxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid, 4-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid, 4-(((Benzyloxy)carbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid, A1-01492, SCHEMBL1305844, CTK8B7587, DTXSID30443224, LFCUXTYUESPPGC-UHFFFAOYSA-N, KS-000008TI, 6125AB, ANW-57731, MFCD22741481, ZINC39156662, AKOS016001433, AJ-98807, AK-51171, AS-51743, BBV-78416218, AX8216164, TC-146476, CS-0051072, A1-01537, F2147-3035, 4-(BenzyloxycarbonylaMino)bicyclo[2.2.2]octane-1-carboxyli-, 4-benzyloxycarbonylaminobicyclo[2,2,2]octane-1-carboxylic acid, 4-benzyloxycarbonylaminobicyclo[2.2.2]octane-1-carboxylic acid, 4-(Benzyloxycarbonylamino);bicyclo[2.2.2]octane-1-carboxylic acid, -cacid, C17H21NO4, CID10662201, 4-(benzyloxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, 1-phenylmethoxycarbonylaminobicyclo[2.2.2]octane-4-carboxylic Acid, 4-(Benzyloxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylicacid,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.147g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	303.358g/mol
Monoisotopic Mass	303.147g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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