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1338713-49-7,MFCD00798480
Catalog No.:AA009BW9

1338713-49-7 | HEROIN-D9

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009BW9
Chemical Name:
HEROIN-D9
CAS Number:
1338713-49-7
Molecular Formula:
C21H14D9NO5
Molecular Weight:
378.4665
MDL Number:
MFCD00798480
SMILES:
O=C(C([2H])([2H])[2H])O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C([2H])([2H])[2H])ccc1OC(=O)C([2H])([2H])[2H]
Properties
Computed Properties
 
Complexity:
692  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
9  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature
Quotation Request
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SDS
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Tags:1338713-49-7 Molecular Formula|1338713-49-7 MDL|1338713-49-7 SMILES|1338713-49-7 HEROIN-D9
Catalog No.: AA009BW9
1338713-49-7,MFCD00798480
1338713-49-7 | HEROIN-D9
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA009BW9
Chemical Name: HEROIN-D9
CAS Number: 1338713-49-7
Molecular Formula: C21H14D9NO5
Molecular Weight: 378.4665
MDL Number: MFCD00798480
SMILES: O=C(C([2H])([2H])[2H])O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C([2H])([2H])[2H])ccc1OC(=O)C([2H])([2H])[2H]
Properties
Complexity: 692  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 9  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
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