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86797-89-9 | (2S,3R)-2-ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
CAS No: 86797-89-9 Catalog No: AG004JHK MDL No:
Product Description
Catalog Number:
AG004JHK
Chemical Name:
(2S,3R)-2-ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
CAS Number:
86797-89-9
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
(2S,3R)-2-ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
InChI:
InChI=1S/C14H22O3/c1-6-11(15)8(3)14-10(5)13(16)9(4)12(7-2)17-14/h8-9,12H,6-7H2,1-5H3/t8?,9-,12+/m1/s1
InChI Key:
GOXHJNFKZUOQCT-IBMSWFNTSA-N
SMILES:
CCC(=O)C(C1=C(C)C(=O)[C@@H]([C@@H](O1)CC)C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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