5-Formylsalicylic acid - CAS 616-76-2
Catalog:
BB031220
Product Name:
5-Formylsalicylic acid
CAS:
616-76-2
Synonyms:
2-Hydroxy-5-formylbenzoic acid; Benzoic acid, 5-formyl-2-hydroxy-; 3-carboxy-4-hydroxybenzaldehyde
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BB031220
1 kg
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IUPAC Name: 5-formyl-2-hydroxybenzoic acid
Description: 5-Formylsalicylic acid is a biochemical used in the research of proteomics.
Molecular Weight: 166.13
Molecular Formula: C8H6O4
Canonical SMILES: C1=CC(=C(C=C1C=O)C(=O)O)O
InChI: InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)
InChI Key: UTCFOFWMEPQCSR-UHFFFAOYSA-N
Boiling Point: 361.2±32.0 °C at 760 mmHg
Melting Point: 250 °C (dec.)(lit.)
Purity: 98%
Density: 1.5±0.1 g/cm3
Appearance: Light Beige Fine Crystalline Powder
Storage: Store at 2-8 °C
MDL: MFCD00006945
LogP: 0.90290
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
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PMID Publication Date Title Journal
21953105 20110701 Cα-C bond cleavage of the peptide backbone in MALDI in-source decay using salicylic acid derivative matrices Journal of the American Society for Mass Spectrometry
21123892 20101201 5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate Acta crystallographica. Section C, Crystal structure communications
20044303 20100201 Spectroscopic studies on 3- and 5-formylsalicylic acids and their complexes with Fe(III) Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17692525 20071015 Mono- and disalicylic acid derivatives: PTP1B inhibitors as potential anti-obesity drugs Bioorganic & medicinal chemistry
17580843 20070726 Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase Journal of medicinal chemistry
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: 2
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