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616-76-2 | 5-Formyl-2-hydroxybenzoic acid
CAS No: 616-76-2 Catalog No: AG003MS0 MDL No:MFCD00006945
Product Description
Catalog Number:
AG003MS0
Chemical Name:
5-Formyl-2-hydroxybenzoic acid
CAS Number:
616-76-2
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD00006945
IUPAC Name:
5-formyl-2-hydroxybenzoic acid
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
SMILES:
O=Cc1ccc(c(c1)C(=O)O)O
EC Number:
210-492-0
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 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 20110701 |
| 5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate. | Acta crystallographica. Section C, Crystal structure communications 20101201 |
| Spectroscopic studies on 3- and 5-formylsalicylic acids and their complexes with Fe(III). | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100201 |
| Mono- and disalicylic acid derivatives: PTP1B inhibitors as potential anti-obesity drugs. | Bioorganic & medicinal chemistry 20071015 |
| Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase. | Journal of medicinal chemistry 20070726 |
| Heterotopic helicand for designing heterometallic helicates. | Inorganic chemistry 20060904 |
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