Home Carboxys 2H-Isoindole-2-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethylester, (3aR,7aS)-rel-

2H-Isoindole-2-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethylester, (3aR,7aS)-rel-

CAS No.:
543910-82-3
Catalog Number:
AG00I9PX
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
Product Description
Catalog Number:
AG00I9PX
Chemical Name:
2H-Isoindole-2-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethylester, (3aR,7aS)-rel-
CAS Number:
543910-82-3
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD12198703
IUPAC Name:
tert-butyl (3aS,7aR)-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChI Key:
SGPWUVURFSJYQO-ZJUUUORDSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
Properties
Complexity:
332  
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:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties