Tri-Salicylic Acid

CAT: 0127-BUP06353-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06353-01Size:25 mg

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CAS Number

85531-17-5

Purity

=95%

Smiles

OC(=O)c1ccccc1OC(=O)c1ccccc1OC(=O)c1ccccc1O

Chemical Information

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

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CAS Number	85531-17-5
PubChem CID	57871430
IUPAC Name	2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
Molecular Formula	C21H14O7
Molecular Weight	378.3
XLogP	4.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	575

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

CAS: 85531-17-5

CID: 57871430

Formula: C21H14O7

MW: 378.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	378.3
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	378.07395278
Monoisotopic Mass	378.07395278
Topological Polar Surface Area	110 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	575
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP18311-01	Salicylic acid
OR17124-01	Acetyl salicylic acid
OR1012615-01	Capryloyl Salicylic Acid
BICL2528-01	Salicylic acid O-ß-D-glucuronide
BICL4196-01	Salicylic acid-acyl-beta-D-glucuronide
OR1076884-01	Salicylic acid 2-O-β-D-glucoside
OR1076341-01	Tri- (PEG1-C2-acid)
OR1014908-01	Salicylic Acid cis-3-Hexen-1-yl Ester
BIPG2412-01	(Acid-PEG10) -Tri- (Azide-PEG10-ethoxymethyl) -methane
BIPG2039-01	Methyltetrazine-amido-Tri- (acid-PEG1-ethoxymethyl) -methane

Catalog	Name
MBS3614459-01	Tri-Salicylic Acid
HY-131515R	Tri-Salicylic acid (Standard)
A22686-10	Tri-Salicylic Acid 10mg
A22686-5	Tri-Salicylic Acid 5mg
A22686-100	Tri-Salicylic Acid 100mg
A22686-25	Tri-Salicylic Acid 25mg
A22686-50	Tri-Salicylic Acid 50mg
A22686-10mM-D	Tri-Salicylic Acid 10mM * 1mL in DMSO
T0649-01	Salicylic acid