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114191-88-7 | 4H-Pyran-4-one, 3,5-diethyl-2-hydroxy-6-propyl-
CAS No: 114191-88-7 Catalog No: AG000AR9 MDL No:
Product Description
Catalog Number:
AG000AR9
Chemical Name:
4H-Pyran-4-one, 3,5-diethyl-2-hydroxy-6-propyl-
CAS Number:
114191-88-7
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
3,5-diethyl-4-hydroxy-6-propylpyran-2-one
InChI:
InChI=1S/C12H18O3/c1-4-7-10-8(5-2)11(13)9(6-3)12(14)15-10/h13H,4-7H2,1-3H3
InChI Key:
JZGLIGKICIEGIG-UHFFFAOYSA-N
SMILES:
CCCc1oc(O)c(c(=O)c1CC)CC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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