Home Carboxys 1H-Indole-1-carboxylic acid, octahydro-4-oxo-, 1,1-diMethylethyl ester

1H-Indole-1-carboxylic acid, octahydro-4-oxo-, 1,1-diMethylethyl ester

CAS No.:
1332584-12-9
Catalog Number:
AG0014HN
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG0014HN
Chemical Name:
1H-Indole-1-carboxylic acid, octahydro-4-oxo-, 1,1-diMethylethyl ester
CAS Number:
1332584-12-9
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD24038873
IUPAC Name:
tert-butyl 4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h9-10H,4-8H2,1-3H3
InChI Key:
GRNSGJOKGICXGO-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1CCN2C(=O)OC(C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties