3-Amino-4-hydroxybenzoic acid - CAS 1571-72-8
Catalog: |
BB011297 |
Product Name: |
3-Amino-4-hydroxybenzoic acid |
CAS: |
1571-72-8 |
Synonyms: |
Benzoic acid, 3-amino-4-hydroxy-; 3,4-AHBA |
IUPAC Name: | 3-amino-4-hydroxybenzoic acid |
Description: | 3-Amino-4-hydroxybenzoic acid (CAS# 1571-72-8) is a useful research chemical. |
Molecular Weight: | 153.1 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)N)O |
InChI: | InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) |
InChI Key: | MRBKRZAPGUCWOS-UHFFFAOYSA-N |
Boiling Point: | 388.8 °C at 760 mmHg |
Melting Point: | 208 °C (dec.)(lit.) |
Purity: | 98.0% |
Density: | 1.491 g/cm3 |
Appearance: | Crystalline powder |
MDL: | MFCD00007697 |
LogP: | 1.25380 |
GHS Hazard Statement: | H302 (88.64%): 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-113307779-A | Heterocyclic substituted biphenyl compound, preparation method and application | 20210525 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021136244-A1 | Tricyclic compound, and preparation method therefor and medical use thereof | 20191230 |
WO-2021131451-A1 | Cleaning method and cleaning fluid | 20191226 |
PMID | Publication Date | Title | Journal |
23890006 | 20130725 | Tandem enzymatic oxygenations in biosynthesis of epoxyquinone pharmacophore of manumycin-type metabolites | Chemistry & biology |
22300888 | 20120301 | Redox potentials, laccase oxidation, and antilarval activities of substituted phenols | Bioorganic & medicinal chemistry |
21081952 | 20110101 | Substrate specificity of benzamide synthetase involved in 4-hydroxy-3-nitrosobenzamide biosynthesis | The Journal of antibiotics |
20676084 | 20100901 | A copper-containing oxidase catalyzes C-nitrosation in nitrosobenzamide biosynthesis | Nature chemical biology |
20522559 | 20100806 | Biochemical and genetic insights into asukamycin biosynthesis | The Journal of biological chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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