2-(5-Methoxy-3-indolyl)acetic Acid - CAS 3471-31-6
Catalog: |
BB022253 |
Product Name: |
2-(5-Methoxy-3-indolyl)acetic Acid |
CAS: |
3471-31-6 |
Synonyms: |
2-(5-methoxy-1H-indol-3-yl)acetic acid; 2-(5-methoxy-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-methoxy-1H-indol-3-yl)acetic acid |
Description: | 2-(5-Methoxy-3-indolyl)acetic Acid (CAS# 3471-31-6) is a chemical reagent used in the analysis of the physiological properties of auxins. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC=C2CC(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) |
InChI Key: | COCNDHOPIHDTHK-UHFFFAOYSA-N |
Boiling Point: | 445.9 °C at 760 mmHg |
Appearance: | White to beige powder or crystalline powder |
MDL: | MFCD00005638 |
LogP: | 1.80360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111689944-A | Quinoline tryptamine heterozygote and application thereof in preparation of medicine for treating Alzheimer disease | 20200610 |
EP-3848017-A1 | Oral care composition containing indole components for treating caries | 20200108 |
EP-3844147-A1 | Compounds | 20191107 |
EP-3873883-A1 | Method of synthesis | 20191107 |
WO-2021089872-A1 | Compounds | 20191107 |
PMID | Publication Date | Title | Journal |
25430725 | 20150201 | Daily rhythms of serotonin metabolism and the expression of clock genes in suprachiasmatic nucleus of rotenone-induced Parkinson's disease male Wistar rat model and effect of melatonin administration | Biogerontology |
21629571 | 20110101 | Alteration of melatonin secretion in patients with type 2 diabetes and proliferative diabetic retinopathy | Clinical ophthalmology (Auckland, N.Z.) |
21358967 | 20100901 | Significance of high levels of endogenous melatonin in Mammalian cerebrospinal fluid and in the central nervous system | Current neuropharmacology |
21358968 | 20100901 | Melatonin metabolism in the central nervous system | Current neuropharmacology |
20421998 | 20100421 | A novel endogenous indole protects rodent mitochondria and extends rotifer lifespan | PloS one |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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