Ethyl indole-5-carboxylate - CAS 32996-16-0
Catalog: |
BB043185 |
Product Name: |
Ethyl indole-5-carboxylate |
CAS: |
32996-16-0 |
Synonyms: |
RARECHEM AL BI 0874; INDOLE-5-CARBOXYLIC ACID ETHYL ESTER; ETHYL INDOLE-5-CARBOXYLATE; 5-CARBETHOXYINDOLE; 1H-Indole-5-carboxylicacidethylester; INDOLE-5-CARBOXYLIC ACID ETHYL ESTER (I5CAEt) |
IUPAC Name: | ethyl 1H-indole-5-carboxylate |
Description: | Ethyl indole-5-carboxylate (CAS# 32996-16-0 ) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)NC=C2 |
InChI: | InChI=1S/C11H11NO2/c1-2-14-11(13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12H,2H2,1H3 |
InChI Key: | PDXPRWCJESNIIT-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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