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 |
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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