Methyl 6-cyano-1h-indole-2-carboxylate - CAS 104291-83-0
Catalog: |
BB059199 |
Product Name: |
Methyl 6-cyano-1h-indole-2-carboxylate |
CAS: |
104291-83-0 |
Synonyms: |
methyl 6-cyano-1H-indole-2-carboxylate; 6-cyano-1h-indole-2-carboxylic acid methyl ester; Methyl6-cyano-1H-indole-2-carboxylate; 1H-Indole-2-carboxylic acid, 6-cyano-, methyl ester |
IUPAC Name: | methyl 6-cyano-1H-indole-2-carboxylate |
Description: | Methyl 6-cyano-1h-indole-2-carboxylate |
Molecular Weight: | 200.19 |
Molecular Formula: | C11H8N2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C=C(C=C2)C#N |
InChI: | InChI=1S/C11H8N2O2/c1-15-11(14)10-5-8-3-2-7(6-12)4-9(8)13-10/h2-5,13H,1H3 |
InChI Key: | VDOVWALYWVUEQR-UHFFFAOYSA-N |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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