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168418-92-6 | 2(5H)-Furanone, 5-methyl-3-(3-oxooctyl)-, (5S)-
CAS No: 168418-92-6 Catalog No: AG001Y1X MDL No:
Product Description
Catalog Number:
AG001Y1X
Chemical Name:
2(5H)-Furanone, 5-methyl-3-(3-oxooctyl)-, (5S)-
CAS Number:
168418-92-6
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(2S)-2-methyl-4-(3-oxooctyl)-2H-furan-5-one
InChI:
InChI=1S/C13H20O3/c1-3-4-5-6-12(14)8-7-11-9-10(2)16-13(11)15/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChI Key:
WBTHLYPDLXGDBM-JTQLQIEISA-N
SMILES:
CCCCCC(=O)CCC1=C[C@@H](OC1=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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