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1251022-31-7,MFCD22370082
Catalog No.:AA019EIH

1251022-31-7 | Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid

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Technical Information
Catalog Number:
AA019EIH
Chemical Name:
Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid
CAS Number:
1251022-31-7
Molecular Formula:
C15H23NO6
Molecular Weight:
313.3462
MDL Number:
MFCD22370082
SMILES:
O=C(N1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@H]1[C@@H]2OC(O1)(C)C)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
511  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
5  
XLogP3:
1.3  

Literature
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Tags:1251022-31-7 Molecular Formula|1251022-31-7 MDL|1251022-31-7 SMILES|1251022-31-7 Racemic-(3aR,4S,6S,7S,7aS)-5-(tert-butoxycarbonyl)-2,2-dimethylhexahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid