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579-18-0,MFCD00002518
Catalog No.:AA003IVN
579-18-0 | 3-Benzoylbenzoic acid
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Technical Information
Catalog Number:
AA003IVN
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
Computed 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  

Synonyms
 
3-Benzoylbenzoic acid 
579-18-0 
3-Benzoylbenzoicacid,98% 
3-Benzoyl-benzoesaure 
3-benzoylbenzoic-acid 
ACMC-20an9k 
Benzoic acid,3-benzoyl- 
AC1L2QQ7 
AC1Q1HE1 
3-BENZOYL-BENZOICACID 
SCHEMBL141056 
benzophenone-3-carboxylic acid 
Benzoic acid, 3-benzoyl- 
AC1Q72T8 
CTK5A7633 
DTXSID50206616 
ZINC409186 
NSC409446 
AKOS004908146 
NSC-409446 
AN-21477 
CC-14275 
AB1003200 
3-benzoyl benzoic acid 
TC-169823 
FT-0615088 
ST50825760 
C-33493 
Benzophenone-3-carboxylic acid; 3-Carboxybenzophenone 
I01-19695 
3-BENZOYLBENZOICACID 
AR-1F2034 
CID101386 
C14-H10-O3 
3-BenzoYl-Benzoic Acid 
3-Benzoylbenzoic acid, 98% - 25G 25g 
5963-29-1 
m-Benzoylbenzoic acid 
3-Benzoylbenzoic acid, 99% 
3-(phenylcarbonyl)benzoic acid 
AXJXRLHTQQONQR-UHFFFAOYSA-N 
MFCD00002518 
Literature

Title: In situ formed phase transited drug delivery system of ketoprofen for achieving osmotic, controlled and level a in vitro in vivo correlation.

Journal: Indian journal of pharmaceutical sciences 20080101

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