Methyl 2-(6-Methyl-3-indolyl)-2-oxoacetate - CAS 408356-30-9
Catalog: |
BB024684 |
Product Name: |
Methyl 2-(6-Methyl-3-indolyl)-2-oxoacetate |
CAS: |
408356-30-9 |
Synonyms: |
2-(6-methyl-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | methyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate |
Description: | Methyl 2-(6-Methyl-3-indolyl)-2-oxoacetate (CAS# 408356-30-9 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CN2)C(=O)C(=O)OC |
InChI: | InChI=1S/C12H11NO3/c1-7-3-4-8-9(6-13-10(8)5-7)11(14)12(15)16-2/h3-6,13H,1-2H3 |
InChI Key: | JDMHVAQTEDBUQZ-UHFFFAOYSA-N |
LogP: | 1.83200 |
Publication Number | Title | Priority Date |
DE-60103171-T2 | METHOD AND LINKS FOR TREATING PROLIFERATIVE DISEASES | 20000929 |
EP-1325011-A2 | Methods and compounds for treating proliferative diseases | 20000929 |
EP-1325011-B1 | Methods and compounds for treating proliferative diseases | 20000929 |
US-2004048915-A1 | Methods and compounds for treating proliferative diseases | 20000929 |
US-7109229-B2 | Methods and compounds for treating proliferative diseases | 20000929 |
Complexity: | 303 |
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: | 3 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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