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1000304-34-6,MFCD11505101
Catalog No.:AA00008U
1000304-34-6 | 3-Azatricyclo[5.1.1.02,5]nonan-4-one, 6,8,8-trimethyl-, (1R,2R,5S,6R,7R)-
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100mg
in stock  
$139.00
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250mg
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$283.00
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500mg
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$502.00
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1g
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$908.00
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Technical Information
Catalog Number:
AA00008U
Chemical Name:
3-Azatricyclo[5.1.1.02,5]nonan-4-one, 6,8,8-trimethyl-, (1R,2R,5S,6R,7R)-
CAS Number:
1000304-34-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD11505101
IUPAC Name:
(1R,2R,5S,6R,7R)-6,8,8-trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one
InChI:
InChI=1S/C11H17NO/c1-5-6-4-7(11(6,2)3)9-8(5)10(13)12-9/h5-9H,4H2,1-3H3,(H,12,13)/t5-,6-,7+,8+,9-/m1/s1
InChI Key:
DYJCUNKVHDGMKK-XGQMLPDNSA-N
SMILES:
O=C1N[C@H]2[C@@H]1[C@H](C)[C@H]1C[C@@H]2C1(C)C
Properties
Computed Properties
 
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
(1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one 
1000304-34-6 
CTK3J8396 
FCH890836 
MFCD11505101 
ZINC32099126 
AKOS006323132 
OR307672 
T6102 
Literature
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