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Home > Other Heterocycles > 919769-60-1
919769-60-1 | 1,4-Dioxaspiro[4.5]decane, 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]-, (2R)-
CAS No: 919769-60-1 Catalog No: AG00657I MDL No:
Product Description
Catalog Number:
AG00657I
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]-, (2R)-
CAS Number:
919769-60-1
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(3R)-3-[(2S)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C13H20O3/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11/h2,5,11-12H,1,3-4,6-10H2/t11-,12+/m0/s1
InChI Key:
NAIKJBJMLHBRSJ-NWDGAFQWSA-N
SMILES:
C1CCC2(CC1)OC[C@@H](O2)[C@@H]1CC=CCO1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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