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144153-85-5 | 3(2H)-Benzofuranone, 5-acetyl-2-benzoyl-
CAS No: 144153-85-5 Catalog No: AG001J0M MDL No:
Product Description
Catalog Number:
AG001J0M
Chemical Name:
3(2H)-Benzofuranone, 5-acetyl-2-benzoyl-
CAS Number:
144153-85-5
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
5-acetyl-2-benzoyl-1-benzofuran-3-one
InChI:
InChI=1S/C17H12O4/c1-10(18)12-7-8-14-13(9-12)16(20)17(21-14)15(19)11-5-3-2-4-6-11/h2-9,17H,1H3
InChI Key:
CFUJMCCMWOHHPP-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2OC1C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.279g/mol
Monoisotopic Mass:
280.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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