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Home > Indoles and Oxindole > 87623-93-6
87623-93-6 | 1H-Indole, 1-acetyloctahydro-, cis-
CAS No: 87623-93-6 Catalog No: AG004LQ7 MDL No:
Product Description
Catalog Number:
AG004LQ7
Chemical Name:
1H-Indole, 1-acetyloctahydro-, cis-
CAS Number:
87623-93-6
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
InChI:
InChI=1S/C10H17NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h9-10H,2-7H2,1H3/t9-,10-/m0/s1
InChI Key:
ITAJICNQXAXEEY-UWVGGRQHSA-N
SMILES:
CC(=O)N1CC[C@H]2[C@@H]1CCCC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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