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159647-53-7 | Ethanone, 2-(1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)-
CAS No: 159647-53-7 Catalog No: AG001R9W MDL No:
Product Description
Catalog Number:
AG001R9W
Chemical Name:
Ethanone, 2-(1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)-
CAS Number:
159647-53-7
Molecular Formula:
C17H16O5
Molecular Weight:
300.3059
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C17H16O5/c1-2-11-7-12(15(20)8-13(11)18)14(19)5-10-3-4-16-17(6-10)22-9-21-16/h3-4,6-8,18,20H,2,5,9H2,1H3
InChI Key:
XUGRNSSQYYXXBH-UHFFFAOYSA-N
SMILES:
CCc1cc(C(=O)Cc2ccc3c(c2)OCO3)c(cc1O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.31g/mol
Monoisotopic Mass:
300.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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