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579-18-0 | 3-Benzoylbenzoic acid
CAS No: 579-18-0 Catalog No: AG003IYF MDL No:MFCD00002518
Product Description
Catalog Number:
AG003IYF
Chemical Name:
3-Benzoylbenzoic acid
CAS Number:
579-18-0
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD00002518
IUPAC Name:
3-benzoylbenzoic acid
InChI:
InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)
InChI Key:
AXJXRLHTQQONQR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)O)c1ccccc1
NSC Number:
409446
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| In situ formed phase transited drug delivery system of ketoprofen for achieving osmotic, controlled and level a in vitro in vivo correlation. | Indian journal of pharmaceutical sciences 20080101 |
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