3-(5-Methoxy-3-indolyl)propionic Acid - CAS 39547-16-5
Catalog: |
BB024026 |
Product Name: |
3-(5-Methoxy-3-indolyl)propionic Acid |
CAS: |
39547-16-5 |
Synonyms: |
3-(5-methoxy-1H-indol-3-yl)propanoic acid; 3-(5-methoxy-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(5-methoxy-1H-indol-3-yl)propanoic acid |
Description: | 3-(5-Methoxy-3-indolyl)propionic Acid (CAS# 39547-16-5 ) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC=C2CCC(=O)O |
InChI: | InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15) |
InChI Key: | ZLSZCJIWILJKMR-UHFFFAOYSA-N |
Boiling Point: | 449.7 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
MDL: | MFCD01464547 |
LogP: | 2.19370 |
Publication Number | Title | Priority Date |
WO-2020030843-A2 | Agents for treatment of alcohol use disorder | 20180810 |
CN-113015558-A | Agents for treating alcohol use disorders | 20180810 |
EP-3834888-A2 | Agents for treatment of alcohol use disorder | 20180810 |
US-2021108237-A1 | Whole cell processes to produce nitroaromatics | 20180321 |
US-2019292527-A1 | Highly active self-sufficient nitration biocatalysts | 20161026 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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