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145372-32-3 | (1R,1'S)-Octahydro-1-(2'-iodo-1'-Methylethyl)-7a-Methyl-inden-4-one
CAS No: 145372-32-3 Catalog No: AG00ADXZ MDL No:
Product Description
Catalog Number:
AG00ADXZ
Chemical Name:
(1R,1'S)-Octahydro-1-(2'-iodo-1'-Methylethyl)-7a-Methyl-inden-4-one
CAS Number:
145372-32-3
IUPAC Name:
(1R,3aR)-1-[(2S)-1-iodopropan-2-yl]-3a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-one
InChI:
InChI=1S/C13H21IO/c1-9(8-14)10-6-7-13(2)11(10)4-3-5-12(13)15/h9-11H,3-8H2,1-2H3/t9-,10+,11?,13-/m1/s1
InChI Key:
FGFOBTXOTMBRFU-FIOVSDBCSA-N
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
320.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.214g/mol
Monoisotopic Mass:
320.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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