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1154-72-9 | 1-Decanone, 1-(2,3,4-trihydroxyphenyl)-
CAS No: 1154-72-9 Catalog No: AG000FYJ MDL No:
Product Description
Catalog Number:
AG000FYJ
Chemical Name:
1-Decanone, 1-(2,3,4-trihydroxyphenyl)-
CAS Number:
1154-72-9
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
1-(2,3,4-trihydroxyphenyl)decan-1-one
InChI:
InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)12-10-11-14(18)16(20)15(12)19/h10-11,18-20H,2-9H2,1H3
InChI Key:
ZPMQGTUVDYNEHO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)c1ccc(c(c1O)O)O
NSC Number:
78479
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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