1-Methyl-2-oxindole - CAS 61-70-1
Catalog: |
BB031230 |
Product Name: |
1-Methyl-2-oxindole |
CAS: |
61-70-1 |
Synonyms: |
1-methyl-3H-indol-2-one |
IUPAC Name: | 1-methyl-3H-indol-2-one |
Description: | 1-Methyl-2-oxindole (CAS# 61-70-1) is a useful research chemical compound. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CN1C(=O)CC2=CC=CC=C21 |
InChI: | InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3 |
InChI Key: | RSQUAQMIGSMNNE-UHFFFAOYSA-N |
Boiling Point: | 346 °C at 760 mmHg |
Density: | 1.167 g/cm3 |
MDL: | MFCD00030253 |
LogP: | 1.27050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111205202-A | Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof | 20200229 |
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PMID | Publication Date | Title | Journal |
21582838 | 20090613 | 5-Bromo-1-methyl-indolin-2-one | Acta crystallographica. Section E, Structure reports online |
18558667 | 20080710 | Toward prediction of alkane/water partition coefficients | Journal of medicinal chemistry |
11754587 | 20020103 | Rational determination of transfer free energies of small drugs across the water-oil interface | Journal of medicinal chemistry |
Complexity: | 178 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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