Home Carboxys 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-formyl-,1,1-dimethylethyl ester, (3-exo)-

8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-formyl-,1,1-dimethylethyl ester, (3-exo)-

CAS No.:
882036-78-4
Catalog Number:
AG00IKS5
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG00IKS5
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-formyl-,1,1-dimethylethyl ester, (3-exo)-
CAS Number:
882036-78-4
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD29037445
IUPAC Name:
tert-butyl (1R,5S)-3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15/h8-11H,4-7H2,1-3H3/t9?,10-,11+
InChI Key:
XYJAVZBRKJTDTI-FGWVZKOKSA-N
SMILES:
O=C[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties