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15824-26-7 | 1-Propanone, 1-[6-hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl]-
CAS No: 15824-26-7 Catalog No: AG001Q22 MDL No:
Product Description
Catalog Number:
AG001Q22
Chemical Name:
1-Propanone, 1-[6-hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl]-
CAS Number:
15824-26-7
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
1-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]propan-1-one
InChI:
InChI=1S/C17H14O4/c1-2-14(20)16-13-8-7-12(19)9-15(13)21-17(16)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
InChI Key:
GZSBOLACTADZOH-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(oc2c1ccc(c2)O)c1ccc(cc1)O
NSC Number:
97869
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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