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1332598-41-0 | 1H-Indole-1-carboxylic acid, 4-(acetyloxy)octahydro-, 1,1-dimethylethyl ester
CAS No: 1332598-41-0 Catalog No: AG0014H7 MDL No:
Product Description
Catalog Number:
AG0014H7
Chemical Name:
1H-Indole-1-carboxylic acid, 4-(acetyloxy)octahydro-, 1,1-dimethylethyl ester
CAS Number:
1332598-41-0
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
tert-butyl 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
InChI Key:
XAQGVQBGKDMCCK-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCC2C1CCN2C(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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