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Home > Other Heterocycles > 1825377-73-8
1825377-73-8 | rac-(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one
CAS No: 1825377-73-8 Catalog No: AG00J2NS MDL No:MFCD21364388
Product Description
Catalog Number:
AG00J2NS
Chemical Name:
rac-(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one
CAS Number:
1825377-73-8
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD21364388
IUPAC Name:
(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one
InChI:
InChI=1S/C7H12N2O/c10-7-5-1-2-6(9-7)4-8-3-5/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChI Key:
KNPIHDSEMFBJJK-WDSKDSINSA-N
SMILES:
O=C1N[C@@H]2CNC[C@H]1CC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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