AG0015MJ

1217190-38-9 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, phenylMethyl ester

AG0015MJ

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CAS Number	1217190-38-9
Catalog Number	AG0015MJ(AGN-PC-0NKLR1)
Chemical Name	2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, phenylMethyl ester
IUPAC Name	benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI	InChI=1S/C14H17NO3/c16-13-7-12-6-11(13)8-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2
InChI Key	MBWICDZTOSCKLV-UHFFFAOYSA-N
MDL Number	MFCD24038878
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	O=C(N1C(C2)CC(O)C2C1)OCC3=CC=CC=C3
Synonyms	Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate, 1217190-38-9, 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, phenylmethyl ester, MBWICDZTOSCKLV-UHFFFAOYSA-N, SCHEMBL1919581, DTXSID50576624, ACN-045337, FCH2896473, AX8249220, CS-0038561, racemic benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate, Benzyl5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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