Home Carboxys 1H-Indole-1-carboxylic acid, 4-(acetyloxy)octahydro-, 1,1-dimethylethyl ester, (3aS,4R,7aS)-

1H-Indole-1-carboxylic acid, 4-(acetyloxy)octahydro-, 1,1-dimethylethyl ester, (3aS,4R,7aS)-

CAS No.:
543910-44-7
Catalog Number:
AG00DB9R
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
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Product Description
Catalog Number:
AG00DB9R
Chemical Name:
1H-Indole-1-carboxylic acid, 4-(acetyloxy)octahydro-, 1,1-dimethylethyl ester, (3aS,4R,7aS)-
CAS Number:
543910-44-7
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
MDL Number:
MFCD29924764
IUPAC Name:
tert-butyl (3aS,4R,7aS)-4-acetyloxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
InChI:
InChI=1S/C15H25NO4/c1-10(17)19-13-7-5-6-12-11(13)8-9-16(12)14(18)20-15(2,3)4/h11-13H,5-9H2,1-4H3/t11-,12-,13+/m0/s1
InChI Key:
XAQGVQBGKDMCCK-RWMBFGLXSA-N
SMILES:
CC(=O)O[C@@H]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties