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127745-66-8 | Ethanone, 1-[2-(benzoyloxy)-5-methoxyphenyl]-
CAS No: 127745-66-8 Catalog No: AG000XDR MDL No:
Product Description
Catalog Number:
AG000XDR
Chemical Name:
Ethanone, 1-[2-(benzoyloxy)-5-methoxyphenyl]-
CAS Number:
127745-66-8
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
(2-acetyl-4-methoxyphenyl) benzoate
InChI:
InChI=1S/C16H14O4/c1-11(17)14-10-13(19-2)8-9-15(14)20-16(18)12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
ADODKAZZHXIWOQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C)OC(=O)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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