3-Hydroxyphenylacetic acid - CAS 621-37-4
Catalog: |
BB031430 |
Product Name: |
3-Hydroxyphenylacetic acid |
CAS: |
621-37-4 |
Synonyms: |
2-(3-hydroxyphenyl)acetic acid |
IUPAC Name: | 2-(3-hydroxyphenyl)acetic acid |
Description: | 3-Hydroxyphenylacetic acid (CAS# 621-37-4) is a compound useful in organic synthesis. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | C1=CC(=CC(=C1)O)CC(=O)O |
InChI: | InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) |
InChI Key: | FVMDYYGIDFPZAX-UHFFFAOYSA-N |
Boiling Point: | 349 °C at 760 mmHg |
Melting Point: | 131-134 °C |
Purity: | 98 % |
Density: | 1.319 g/cm3 |
Solubility: | 1000.0 mg/mL |
Appearance: | White powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004337 |
LogP: | 1.01930 |
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 |
Publication Number | Title | Priority Date |
CN-113336633-A | Synthetic method of 5-hydroxy-2-tetralone | 20210514 |
CN-111809068-A | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
CN-111809068-B | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
CN-111659436-A | Electronegative heteroatom-transition metal co-doped carbon-based non-noble metal electrocatalyst and preparation method thereof | 20200519 |
CN-111514124-A | Application of 3-hydroxyphenylacetic acid in preparation of medicine for improving pathologic ventricular remodeling and/or heart failure after myocardial infarction | 20200413 |
PMID | Publication Date | Title | Journal |
28115647 | 20170301 | Urinary Time- or Dose-Dependent Metabolic Biomarkers of Aristolochic Acid-Induced Nephrotoxicity in Rats | Toxicological sciences : an official journal of the Society of Toxicology |
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 |
22932811 | 20121101 | SPE-NMR metabolite sub-profiling of urine | Analytical and bioanalytical chemistry |
22306414 | 20120401 | Molecular modeling study on the possible polymers formed during the electropolymerization of 3-hydroxyphenylacetic acid | Journal of molecular graphics & modelling |
22372405 | 20120328 | Impact of short-term intake of red wine and grape polyphenol extract on the human metabolome | Journal of agricultural and food chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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