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Home > Aldehydes > 116425-03-7
116425-03-7 | 2,4,6-Trihydroxy-5-methyl-3-[(S)-3-methyl-1-oxopentyl]benzaldehyde
CAS No: 116425-03-7 Catalog No: AG009UX5 MDL No:
Product Description
Catalog Number:
AG009UX5
Chemical Name:
2,4,6-Trihydroxy-5-methyl-3-[(S)-3-methyl-1-oxopentyl]benzaldehyde
CAS Number:
116425-03-7
IUPAC Name:
2,4,6-trihydroxy-3-methyl-5-[(3S)-3-methylpentanoyl]benzaldehyde
InChI:
InChI=1S/C14H18O5/c1-4-7(2)5-10(16)11-13(18)8(3)12(17)9(6-15)14(11)19/h6-7,17-19H,4-5H2,1-3H3/t7-/m0/s1
InChI Key:
FNFBYOKOPYBWMY-ZETCQYMHSA-N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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