3-Formyl-2-hydroxybenzoic Acid - CAS 610-04-8

Name: 3-Formyl-2-hydroxybenzoic Acid
Brand: BOC Sciences
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Catalog:	BB030894
Product Name:	3-Formyl-2-hydroxybenzoic Acid
CAS:	610-04-8
Synonyms:	3-formyl-2-hydroxybenzoic acid; 3-formyl-2-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-formyl-2-hydroxybenzoic acid
Description:	3-Formylsalicylic acid is a non-competitive inhibitor of estrone sulfatase (IC50 = 150 nM; Ki = 120 nM), the enzyme that converts estrone sulfate to estrone.
Molecular Weight:	166.13
Molecular Formula:	C8H6O4
Canonical SMILES:	C1=CC(=C(C(=C1)C(=O)O)O)C=O
InChI:	InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChI Key:	YOEUNKPREOJHBW-UHFFFAOYSA-N
Boiling Point:	306.9 °C at 760 mmHg
Purity:	> 98 %
Density:	1.482 g/cm³
Appearance:	Crystalline solid
LogP:	0.90290

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021050688-A1	Compounds and uses thereof	20190910
WO-2020187955-A1	Use of an agent capable of inhibiting the activation of mait cells for the treatment of obesity and obesity-related disorders	20190319
WO-2020153431-A1	Ester compound	20190124
WO-2020080957-A1	Methods of treating or preventing skin conditions	20181019
EP-3641802-A1	Methods and pharmaceutical compositions for the treatment of fibrosis with agents capable of inhibiting the activation of mucosal-associated invariant t (mait) cells	20170622

PMID	Publication Date	Title	Journal
22409581	20120402	Dodecanuclear [Cu(II)6Gd(III)6] nanoclusters as magnetic refrigerants	Inorganic chemistry
21060953	20110107	New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands	Dalton transactions (Cambridge, England : 2003)
21123892	20101201	5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate	Acta crystallographica. Section C, Crystal structure communications
20565084	20100719	Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes as catalysts for the oxidative desulfurization of model fuel diesel	Inorganic chemistry
20044303	20100201	Spectroscopic studies on 3- and 5-formylsalicylic acids and their complexes with Fe(III)	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.02660867
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.02660867
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1