3-Hydroxybenzoic acid - CAS 99-06-9
Catalog: |
BB042250 |
Product Name: |
3-Hydroxybenzoic acid |
CAS: |
99-06-9 |
Synonyms: |
Benzoic acid, 3-hydroxy-; Benzoic acid, m-hydroxy-; 3-Carboxyphenol; m-Carboxyphenol; m-Hydroxybenzoic acid; m-Salicylic acid; NSC 55746 |
IUPAC Name: | 3-hydroxybenzoic acid |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1=CC(=CC(=C1)O)C(=O)O |
InChI: | InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) |
InChI Key: | IJFXRHURBJZNAO-UHFFFAOYSA-N |
Boiling Point: | 346.1±25.0°C at 760 mmHg |
Melting Point: | 202°C |
Purity: | ≥95% |
Density: | 1.375±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Powder |
Storage: | Store at RT |
MDL: | MFCD00002506 |
LogP: | 1.09040 |
Vapor Pressure: | 0.000158 [mmHg] |
GHS Hazard Statement: | H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113337284-A | Acridine sulfonamide-carbon quantum dot hybrid material and application thereof in single molecule detection | 20210622 |
CN-113149930-A | Cell sugar transport channel inhibitor | 20210416 |
CN-113149946-A | Michellac dimethylamine lactone-m-hydroxybenzoate and preparation method and application thereof | 20210416 |
CN-113087698-A | Preparation method and antifungal application of nicotine benzoate solid | 20210413 |
CN-113185437-A | Preparation method of triphenyl sulfonium salt containing annular anion structure | 20210409 |
PMID | Publication Date | Title | Journal |
28594102 | 20170901 | The inhibition effects of some natural products on lactoperoxidase purified from bovine milk | Journal of biochemical and molecular toxicology |
28153595 | 20170325 | Phenolic compounds: The inhibition effect on polyol pathway enzymes | Chemico-biological interactions |
26303405 | 20151101 | Resveratrol compounds inhibit human holocarboxylase synthetase and cause a lean phenotype in Drosophila melanogaster | The Journal of nutritional biochemistry |
24165878 | 20140101 | Resveratrol and EGCG bind directly and distinctively to miR-33a and miR-122 and modulate divergently their levels in hepatic cells | Nucleic acids research |
22434718 | 20121101 | Conversion of phenolic constituents in aqueous Hamamelis virginiana leaf extracts during fermentation | Phytochemical analysis : PCA |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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