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151271-57-7 | 2H-Pyran-2-one, 3-ethyl-4-hydroxy-6-(1-methylpropyl)-
CAS No: 151271-57-7 Catalog No: AG001N80 MDL No:
Product Description
Catalog Number:
AG001N80
Chemical Name:
2H-Pyran-2-one, 3-ethyl-4-hydroxy-6-(1-methylpropyl)-
CAS Number:
151271-57-7
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
6-butan-2-yl-3-ethyl-4-hydroxypyran-2-one
InChI:
InChI=1S/C11H16O3/c1-4-7(3)10-6-9(12)8(5-2)11(13)14-10/h6-7,12H,4-5H2,1-3H3
InChI Key:
NPQKQKITPJTEBK-UHFFFAOYSA-N
SMILES:
CCC(c1cc(O)c(c(=O)o1)CC)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Biochemical and structural characterization of germicidin synthase: analysis of a type III polyketide synthase that employs acyl-ACP as a starter unit donor. | Journal of the American Chemical Society 20120502 |
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