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868615-35-4 | Cyclopentanone, 2-(2-iodoethyl)-2-methyl-5-(1-methylethyl)-, (2R)-
CAS No: 868615-35-4 Catalog No: AG004PJE MDL No:
Product Description
Catalog Number:
AG004PJE
Chemical Name:
Cyclopentanone, 2-(2-iodoethyl)-2-methyl-5-(1-methylethyl)-, (2R)-
CAS Number:
868615-35-4
Molecular Formula:
C11H19IO
Molecular Weight:
294.1724
IUPAC Name:
(2R)-2-(2-iodoethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
InChI:
InChI=1S/C11H19IO/c1-8(2)9-4-5-11(3,6-7-12)10(9)13/h8-9H,4-7H2,1-3H3/t9?,11-/m1/s1
InChI Key:
AFWAHJXCEYNSHS-HCCKASOXSA-N
SMILES:
ICC[C@@]1(C)CCC(C1=O)C(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.176g/mol
Monoisotopic Mass:
294.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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