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Home > Other Heterocycles > 652986-71-5
652986-71-5 | 1-Oxaspiro[5.5]undecan-4-one, 2-(2-hydroxyethyl)-, (2R)-
CAS No: 652986-71-5 Catalog No: AG006TM2 MDL No:
Product Description
Catalog Number:
AG006TM2
Chemical Name:
1-Oxaspiro[5.5]undecan-4-one, 2-(2-hydroxyethyl)-, (2R)-
CAS Number:
652986-71-5
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
(2R)-2-(2-hydroxyethyl)-1-oxaspiro[5.5]undecan-4-one
InChI:
InChI=1S/C12H20O3/c13-7-4-11-8-10(14)9-12(15-11)5-2-1-3-6-12/h11,13H,1-9H2/t11-/m1/s1
InChI Key:
WHDBNZHSMATNEG-LLVKDONJSA-N
SMILES:
OCC[C@@H]1CC(=O)CC2(O1)CCCCC2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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