Home Carboxys methyl (3aS,7aS)-octahydro-1H-isoindole-3a-carboxylate

methyl (3aS,7aS)-octahydro-1H-isoindole-3a-carboxylate

CAS No.:
1807939-37-2
Catalog Number:
AG01B8W0
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
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Product Description
Catalog Number:
AG01B8W0
Chemical Name:
methyl (3aS,7aS)-octahydro-1H-isoindole-3a-carboxylate
CAS Number:
1807939-37-2
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD29912985
IUPAC Name:
methyl (3aS,7aR)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylate
InChI:
InChI=1S/C10H17NO2/c1-13-9(12)10-5-3-2-4-8(10)6-11-7-10/h8,11H,2-7H2,1H3/t8-,10+/m0/s1
InChI Key:
FJDHBNIQGCUZSC-WCBMZHEXSA-N
SMILES:
COC(=O)[C@@]12CNC[C@H]2CCCC1
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties