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87538-42-9 | Ethanedione, (2,4-dihydroxyphenyl)phenyl-
CAS No: 87538-42-9 Catalog No: AG004DE4 MDL No:
Product Description
Catalog Number:
AG004DE4
Chemical Name:
Ethanedione, (2,4-dihydroxyphenyl)phenyl-
CAS Number:
87538-42-9
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
1-(2,4-dihydroxyphenyl)-2-phenylethane-1,2-dione
InChI:
InChI=1S/C14H10O4/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,15-16H
InChI Key:
FSGIDHZYZQSXGL-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)C(=O)c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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