Ethyl 5-hydroxyindole-2-carboxylate - CAS 24985-85-1
Catalog: |
BB046753 |
Product Name: |
Ethyl 5-hydroxyindole-2-carboxylate |
CAS: |
24985-85-1 |
Synonyms: |
5-Hydroxy-1H-indole-2-carboxylic acid ethyl ester; 1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl ester; 5-hydroxyindole-2-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 5-hydroxy-1H-indole-2-carboxylate |
Description: | Ethyl 5-hydroxyindole-2-carboxylate (CAS# 24985-85-1 ) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O |
InChI: | InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3 |
InChI Key: | WANAXLMRGYGCPC-UHFFFAOYSA-N |
Boiling Point: | 410.4±25.0 °C (Predicted) |
Melting Point: | 150-151 °C |
Purity: | 95 % |
Density: | 1.326±0.06 g/cm3 (Predicted) |
Solubility: | Insoluble in water |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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