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Home > Other Heterocycles > 709031-45-8
709031-45-8 | (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide methanesulfonate
CAS No: 709031-45-8 Catalog No: AG003A4K MDL No:
Product Description
Catalog Number:
AG003A4K
Chemical Name:
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide methanesulfonate
CAS Number:
709031-45-8
Molecular Formula:
C7H14N2O4S
Molecular Weight:
222.2621
IUPAC Name:
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonic acid
InChI:
InChI=1S/C6H10N2O.CH4O3S/c7-6(9)5-2-3-1-4(3)8-5;1-5(2,3)4/h3-5,8H,1-2H2,(H2,7,9);1H3,(H,2,3,4)/t3-,4-,5-;/m0./s1
InChI Key:
WPIYZQBALIBMAA-SHLRHQAISA-N
SMILES:
CS(=O)(=O)O.NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
222.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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