Ethyl 6-cyano-1H-indole-2-carboxylate - CAS 104291-81-8
Catalog: |
BB042557 |
Product Name: |
Ethyl 6-cyano-1H-indole-2-carboxylate |
CAS: |
104291-81-8 |
Synonyms: |
1H-Indole-2-carboxylic acid, 6-cyano-, ethyl ester; 6-Cyano-1H-indole-2-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 6-cyano-1H-indole-2-carboxylate |
Description: | Ethyl 6-cyano-1H-indole-2-carboxylate (CAS# 104291-81-8 ) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=C(C=C2)C#N |
InChI: | InChI=1S/C12H10N2O2/c1-2-16-12(15)11-6-9-4-3-8(7-13)5-10(9)14-11/h3-6,14H,2H2,1H3 |
InChI Key: | IUCDNWPSPSMAPS-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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