3,4-Dihydroxyphenylacetic acid - CAS 102-32-9
Catalog: |
BB000837 |
Product Name: |
3,4-Dihydroxyphenylacetic acid |
CAS: |
102-32-9 |
Synonyms: |
3,4-Dihydroxybenzeneacetic Acid; (3,4-Dihydroxyphenyl)acetic Acid; Ba 2773; DOPAC; Benzeneacetic acid, 3,4-dihydroxy-; Acetic acid, (3,4-dihydroxyphenyl)-; 3',4'-Dihydroxyphenylacetic acid; Dihydroxyphenylacetic acid; Dopacetic acid; Homoprotocatechuic acid; NSC 73191 |
IUPAC Name: | 2-(3,4-dihydroxyphenyl)acetic acid |
Description: | 3,4-Dihydroxyphenylacetic acid is a phenol isolated from Arbutus unedo. It has antioxidant activity and exhibits both superoxide dismutase-like and DPPH radical scavenging activities. |
Molecular Weight: | 168.14 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)O)O |
InChI: | InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
InChI Key: | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
Boiling Point: | 418.4±30.0°C at 760 mmHg |
Melting Point: | 130-133°C |
Purity: | ≥95% |
Density: | 1.478±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Brown to Dark Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00004338 |
LogP: | 0.72490 |
Vapor Pressure: | 0.00000082 [mmHg] |
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 |
33279466 | 20210125 | Anti-depressant effect of cerebrolysin in reserpine-induced depression in rats: Behavioral, biochemical, molecular and immunohistochemical evidence | Chemico-biological interactions |
33220538 | 20210101 | Glyphosate targets fish monoaminergic systems leading to oxidative stress and anxiety | Environment international |
29981789 | 20181001 | Protective effects of (-)-epicatechin and the colonic metabolite 3,4-dihydroxyphenylacetic acid against glucotoxicity-induced insulin signalling blockade and altered glucose uptake and production in renal tubular NRK-52E cells | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
29233657 | 20180201 | PCB95 and PCB153 change dopamine levels and turn-over in PC12 cells | Toxicology |
29054324 | 20180105 | Protective role of chrysin on 6-hydroxydopamine-induced neurodegeneration a mouse model of Parkinson's disease: Involvement of neuroinflammation and neurotrophins | Chemico-biological interactions |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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