1271728-07-4,MFCD03428261
Catalog No.:AA009FG3

1271728-07-4 | NSC 9705-d8

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥99% deuterated forms (d1-d8)
in stock  
$479.00   $335.00
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  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA009FG3
Chemical Name:
NSC 9705-d8
CAS Number:
1271728-07-4
Molecular Formula:
C21H22D8O4
Molecular Weight:
354.5098
MDL Number:
MFCD03428261
SMILES:
C1(=C2C([2H])([2H])C[C@@H]3[C@@H]([C@]2(CC(C1=O)([2H])[2H])C)[C@@H](O)C[C@]1([C@H]3CC[C@]1([2H])C(=O)C(O)([2H])[2H])C)[2H]
Properties
Computed Properties
 
Complexity:
638  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
8  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Literature
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SDS
Tags:1271728-07-4 Molecular Formula|1271728-07-4 MDL|1271728-07-4 SMILES|1271728-07-4 NSC 9705-d8
Catalog No.: AA009FG3
1271728-07-4,MFCD03428261
1271728-07-4 | NSC 9705-d8
Pack Size: 5mg
Purity: ≥99% deuterated forms (d1-d8)
in stock
$479.00 $335.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA009FG3
Chemical Name: NSC 9705-d8
CAS Number: 1271728-07-4
Molecular Formula: C21H22D8O4
Molecular Weight: 354.5098
MDL Number: MFCD03428261
SMILES: C1(=C2C([2H])([2H])C[C@@H]3[C@@H]([C@]2(CC(C1=O)([2H])[2H])C)[C@@H](O)C[C@]1([C@H]3CC[C@]1([2H])C(=O)C(O)([2H])[2H])C)[2H]
Properties
Complexity: 638  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 7  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 8  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
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