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Home > Other Heterocycles > 725737-54-2
725737-54-2 | 2-Hexanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
CAS No: 725737-54-2 Catalog No: AG005FYA MDL No:
Product Description
Catalog Number:
AG005FYA
Chemical Name:
2-Hexanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
CAS Number:
725737-54-2
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
1-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]hexan-2-one
InChI:
InChI=1S/C14H24O3/c1-2-3-6-13(15)10-12-5-4-7-14(11-12)16-8-9-17-14/h12H,2-11H2,1H3/t12-/m1/s1
InChI Key:
CUKFDQCESDZVGY-GFCCVEGCSA-N
SMILES:
CCCCC(=O)C[C@H]1CCCC2(C1)OCCO2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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