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Home > Other Heterocycles > 24047-72-1
24047-72-1 | (1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CAS No: 24047-72-1 Catalog No: AG003BH4 MDL No:MFCD00191522
Product Description
Catalog Number:
AG003BH4
Chemical Name:
(1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CAS Number:
24047-72-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00191522
IUPAC Name:
(1R,2R,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI:
InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1
InChI Key:
VZRRCQOUNSHSGB-BRDIYROLSA-N
SMILES:
O=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A general, efficient and stereospecific route to sphingosine, sphinganines, phytosphingosines and their analogs. | Organic & biomolecular chemistry 20060321 |
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