Home Carboxys Benzophenone-2,4'-dicarboxylic acid monohydrate

Benzophenone-2,4'-dicarboxylic acid monohydrate

CAS No.:
85-58-5
Catalog Number:
AG004UEU
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(T)
1 week
United States
$317
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Product Description
Catalog Number:
AG004UEU
Chemical Name:
Benzophenone-2,4'-dicarboxylic acid monohydrate
CAS Number:
85-58-5
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
MDL Number:
MFCD04038016
IUPAC Name:
2-(4-carboxybenzoyl)benzoic acid
InChI:
InChI=1S/C15H10O5/c16-13(9-5-7-10(8-6-9)14(17)18)11-3-1-2-4-12(11)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChI Key:
RWHRIIMYBNGFEV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(cc1)C(=O)O
NSC Number:
5003
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Pentacobalt(II) cluster based pcu network exhibits both magnetic slow-relaxation and hysteresis behaviour. Dalton transactions (Cambridge, England : 2003) 20110107
4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate]. Acta crystallographica. Section E, Structure reports online 20091201
Ferrimagnetic [CoII3(micro3-OH)2(RCO2)4] chains embedded in a laminar hybrid material exhibiting single-chain magnet behaviour. Dalton transactions (Cambridge, England : 2003) 20090321
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties