Products for Research Use Only

Tri-Salicylic Acid

CAT: 1410-M24848-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M24848-01Size:1 mL x 10 mM in DMSO
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Description
Tri-Salicylic Acid, a product of the thermal decomposition of aspirin, is a compound for proteomics research.
CAS Number
85531-17-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
378.33
Molecular Formula
C21H14O7
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2-((2-((2-Hydroxybenzoyl)oxy)benzoyl)oxy)benzoic acid

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CAS Number85531-17-5
PubChem CID57871430
IUPAC Name2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
Molecular FormulaC21H14O7
Molecular Weight378.3
XLogP4.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity575
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)OC3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C21H14O7/c22-16-10-4-1-7-13(16)20(25)28-18-12-6-3-9-15(18)21(26)27-17-11-5-2-8-14(17)19(23)24/h1-12,22H,(H,23,24)
InChIKey
YVJQWLQBUBZFTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-((2-Hydroxybenzoyl)oxy)benzoyl)oxy)benzoic acid
CAS: 85531-17-5
CID: 57871430
Formula: C21H14O7
MW: 378.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight378.3
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass378.07395278
Monoisotopic Mass378.07395278
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes