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130471-75-9 | Ethanone, 1-[4-(benzoyloxy)-2,6-dihydroxyphenyl]-
CAS No: 130471-75-9 Catalog No: AG000UH3 MDL No:
Product Description
Catalog Number:
AG000UH3
Chemical Name:
Ethanone, 1-[4-(benzoyloxy)-2,6-dihydroxyphenyl]-
CAS Number:
130471-75-9
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
(4-acetyl-3,5-dihydroxyphenyl) benzoate
InChI:
InChI=1S/C15H12O5/c1-9(16)14-12(17)7-11(8-13(14)18)20-15(19)10-5-3-2-4-6-10/h2-8,17-18H,1H3
InChI Key:
ZLVNHCPQFPPBFU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cc(O)c(c(c1)O)C(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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