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72749-01-0 | 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (R)-
CAS No: 72749-01-0 Catalog No: AG005FHB MDL No:
Product Description
Catalog Number:
AG005FHB
Chemical Name:
3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (R)-
CAS Number:
72749-01-0
Molecular Formula:
C17H26O4
Molecular Weight:
294.3859
IUPAC Name:
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
InChI:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m1/s1
InChI Key:
NLDDIKRKFXEWBK-CQSZACIVSA-N
SMILES:
CCCCC[C@H](CC(=O)CCc1ccc(c(c1)OC)O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.391g/mol
Monoisotopic Mass:
294.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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