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1788041-49-5 | (1R,2R,4S)-rel-Methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate oxalate
CAS No: 1788041-49-5 Catalog No: AG0026CL MDL No:MFCD28502830
Product Description
Catalog Number:
AG0026CL
Chemical Name:
(1R,2R,4S)-rel-Methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate oxalate
CAS Number:
1788041-49-5
Molecular Formula:
C10H15NO6
Molecular Weight:
245.2292
MDL Number:
MFCD28502830
IUPAC Name:
methyl (1R,2R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate;oxalic acid
InChI:
InChI=1S/C8H13NO2.C2H2O4/c1-11-8(10)6-4-5-2-3-7(6)9-5;3-1(4)2(5)6/h5-7,9H,2-4H2,1H3;(H,3,4)(H,5,6)/t5-,6+,7+;/m0./s1
InChI Key:
CYQRNEXAKCLPOG-VWZUFWLJSA-N
SMILES:
OC(=O)C(=O)O.COC(=O)[C@@H]1C[C@H]2N[C@@H]1CC2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
245.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.231g/mol
Monoisotopic Mass:
245.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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