Methyl 2-(5-Methoxy-3-indolyl)-2-oxoacetate - CAS 99988-56-4
Catalog: |
BB042379 |
Product Name: |
Methyl 2-(5-Methoxy-3-indolyl)-2-oxoacetate |
CAS: |
99988-56-4 |
Synonyms: |
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | methyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate |
Description: | Methyl 2-(5-Methoxy-3-indolyl)-2-oxoacetate (CAS# 99988-56-4) is a useful research chemical. |
Molecular Weight: | 233.22 |
Molecular Formula: | C12H11NO4 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)OC |
InChI: | InChI=1S/C12H11NO4/c1-16-7-3-4-10-8(5-7)9(6-13-10)11(14)12(15)17-2/h3-6,13H,1-2H3 |
InChI Key: | APDBGLFLFVDKDE-UHFFFAOYSA-N |
LogP: | 1.53220 |
Publication Number | Title | Priority Date |
CN-113072553-A | Preparation method and application of dehydrobufotenine | 20200103 |
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 |
ES-2220811-T3 | PROCEDURE AND COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES. | 20000929 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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