Home Carboxys tert-Butyl (3as,5r,7ar)-rel-5-hydroxy-octahydro-1h-isoindole-2-carboxylate

tert-Butyl (3as,5r,7ar)-rel-5-hydroxy-octahydro-1h-isoindole-2-carboxylate

CAS No.:
2007919-65-3
Catalog Number:
AG002CZF
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$712
- +
Product Description
Catalog Number:
AG002CZF
Chemical Name:
tert-Butyl (3as,5r,7ar)-rel-5-hydroxy-octahydro-1h-isoindole-2-carboxylate
CAS Number:
2007919-65-3
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD30478085
IUPAC Name:
tert-butyl (3aS,5R,7aR)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-11,15H,4-8H2,1-3H3/t9-,10+,11+/m0/s1
InChI Key:
ISZLPPFTZXTGHT-HBNTYKKESA-N
SMILES:
O[C@H]1CC[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties