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Home > Other Heterocycles > 1300698-40-1
1300698-40-1 | rac-(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS No: 1300698-40-1 Catalog No: AG00J33E MDL No:MFCD12755865
Product Description
Catalog Number:
AG00J33E
Chemical Name:
rac-(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS Number:
1300698-40-1
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD12755865
IUPAC Name:
(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6+/m0/s1
InChI Key:
OJDDWFBNQVXOPZ-NTSWFWBYSA-N
SMILES:
O=C1NC[C@H]2N[C@@H](C1)CC2
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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