7-Methoxyisatin - CAS 84575-27-9
Catalog: |
BB037242 |
Product Name: |
7-Methoxyisatin |
CAS: |
84575-27-9 |
Synonyms: |
7-methoxy-1H-indole-2,3-dione; 7-methoxy-1H-indole-2,3-dione |
IUPAC Name: | 7-methoxy-1H-indole-2,3-dione |
Description: | 7-Methoxyisatin (CAS# 84575-27-9) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC1=CC=CC2=C1NC(=O)C2=O |
InChI: | InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12) |
InChI Key: | URXIUXOJSICGOD-UHFFFAOYSA-N |
Density: | 1.346 g/cm3 |
LogP: | 0.96800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110964018-A | Indole derivative and application thereof | 20191203 |
CN-110566729-A | Pipeline special for 7-methoxy isatin production line | 20190710 |
CN-211231913-U | Pipeline special for 7-methoxy isatin production line | 20190710 |
EP-3555063-A1 | New 6-amino-quinolinone compounds and derivatives as bcl6 inhibitors | 20161213 |
JP-2020503374-A | Novel 6-aminoquinolinone compounds and derivatives as BCL6 inhibitors | 20161213 |
PMID | Publication Date | Title | Journal |
17378546 | 20070419 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones | Journal of medicinal chemistry |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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