Home Carboxys (3aR,7aS)-rel-tert-Butyl 5-hydroxyhexahydro-1H-isoindole-2(3H)-carboxylate

(3aR,7aS)-rel-tert-Butyl 5-hydroxyhexahydro-1H-isoindole-2(3H)-carboxylate

CAS No.:
318502-89-5
Catalog Number:
AG00I61H
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
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Product Description
Catalog Number:
AG00I61H
Chemical Name:
(3aR,7aS)-rel-tert-Butyl 5-hydroxyhexahydro-1H-isoindole-2(3H)-carboxylate
CAS Number:
318502-89-5
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD23106330
IUPAC Name:
tert-butyl (3aR,7aS)-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?/m1/s1
InChI Key:
ISZLPPFTZXTGHT-JKIOLJMWSA-N
SMILES:
OC1CCC2C(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:
2  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties