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164145-47-5 | 3-Octanone, 5-hydroxy-4-methyl-2-(phenylmethoxy)-, (2S,4R,5S)-
CAS No: 164145-47-5 Catalog No: AG001UO9 MDL No:
Product Description
Catalog Number:
AG001UO9
Chemical Name:
3-Octanone, 5-hydroxy-4-methyl-2-(phenylmethoxy)-, (2S,4R,5S)-
CAS Number:
164145-47-5
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
(2S,4R,5S)-5-hydroxy-4-methyl-2-phenylmethoxyoctan-3-one
InChI:
InChI=1S/C16H24O3/c1-4-8-15(17)12(2)16(18)13(3)19-11-14-9-6-5-7-10-14/h5-7,9-10,12-13,15,17H,4,8,11H2,1-3H3/t12-,13+,15+/m1/s1
InChI Key:
YHYJBIRYRSFPGL-IPYPFGDCSA-N
SMILES:
CCC[C@@H]([C@H](C(=O)[C@@H](OCc1ccccc1)C)C)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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