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832688-60-5 | 2,4-Hexanedione, 5-methoxy-5-phenyl-, (5S)-
CAS No: 832688-60-5 Catalog No: AG004U7H MDL No:
Product Description
Catalog Number:
AG004U7H
Chemical Name:
2,4-Hexanedione, 5-methoxy-5-phenyl-, (5S)-
CAS Number:
832688-60-5
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
(5S)-5-methoxy-5-phenylhexane-2,4-dione
InChI:
InChI=1S/C13H16O3/c1-10(14)9-12(15)13(2,16-3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3/t13-/m0/s1
InChI Key:
SZQCEJPBOQESCL-ZDUSSCGKSA-N
SMILES:
CO[C@@](c1ccccc1)(C(=O)CC(=O)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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