Ethyl 3-formyl-1H-indole-5-carboxylate - CAS 467458-46-4
Catalog: |
BB046742 |
Product Name: |
Ethyl 3-formyl-1H-indole-5-carboxylate |
CAS: |
467458-46-4 |
Synonyms: |
3-Formyl-5-ethoxycarbonyl-1H-indole; 3-Formyl-1H-indole-5-carboxylic acid ethyl ester; 1H-Indole-5-carboxylic acid, 3-formyl-, ethyl ester |
IUPAC Name: | ethyl 3-formyl-1H-indole-5-carboxylate |
Description: | Ethyl 3-formyl-1H-indole-5-carboxylate (CAS# 467458-46-4 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)NC=C2C=O |
InChI: | InChI=1S/C12H11NO3/c1-2-16-12(15)8-3-4-11-10(5-8)9(7-14)6-13-11/h3-7,13H,2H2,1H3 |
InChI Key: | XMCFLTQKFKSXLX-UHFFFAOYSA-N |
Boiling Point: | 411.1 °C at 760 mmHg |
Purity: | ≥ 97 % |
Density: | 1.293 g/cm3 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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