1-Methyl-1H-indol-6-ol - CAS 130570-60-4
Catalog: |
BB076055 |
Product Name: |
1-Methyl-1H-indol-6-ol |
CAS: |
130570-60-4 |
Synonyms: |
6-Hydroxy-1-methyl-1H-indole; 6-Hydroxy-1-methylindole |
IUPAC Name: | 1-methylindol-6-ol |
Description: | 1-Methyl-1H-indol-6-ol can be useful in enantioselective preparation of β-aryloxy-β-keto esters via chlorination of β-keto esters and subsequent SN2 reactions with phenols. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CN1C=CC2=C1C=C(C=C2)O |
InChI: | InChI=1S/C9H9NO/c1-10-5-4-7-2-3-8(11)6-9(7)10/h2-6,11H,1H3 |
InChI Key: | OOOVRUXKQGYTPJ-UHFFFAOYSA-N |
References: | Shibatomi, K., et al. Chem. - Eur. J., 21, 14095 (2015). |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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