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114113-06-3 | 1-Propanone, 1-(5-ethyl-2,4-dihydroxyphenyl)-, oxime
CAS No: 114113-06-3 Catalog No: AG000ALL MDL No:
Product Description
Catalog Number:
AG000ALL
Chemical Name:
1-Propanone, 1-(5-ethyl-2,4-dihydroxyphenyl)-, oxime
CAS Number:
114113-06-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
4-ethyl-6-(C-ethyl-N-hydroxycarbonimidoyl)benzene-1,3-diol
InChI:
InChI=1S/C11H15NO3/c1-3-7-5-8(9(4-2)12-15)11(14)6-10(7)13/h5-6,13-15H,3-4H2,1-2H3
InChI Key:
NHVFBFWZXPVVOY-UHFFFAOYSA-N
SMILES:
CCC(=NO)c1cc(CC)c(cc1O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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