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Home > Other Building Blocks > 125074-06-8
125074-06-8 | 1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-
CAS No: 125074-06-8 Catalog No: AG000N42 MDL No:
Product Description
Catalog Number:
AG000N42
Chemical Name:
1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
125074-06-8
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
InChI:
InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3
InChI Key:
ASABIRFQGVWRDC-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c(O)cc(cc1O)O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| HlPT-1, a membrane-bound prenyltransferase responsible for the biosynthesis of bitter acids in hops. | Biochemical and biophysical research communications 20120106 |
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