4-Methylisatin - CAS 1128-44-5
Catalog: |
BB003056 |
Product Name: |
4-Methylisatin |
CAS: |
1128-44-5 |
Synonyms: |
4-methyl-1H-indole-2,3-dione; 4-methyl-1H-indole-2,3-dione |
IUPAC Name: | 4-methyl-1H-indole-2,3-dione |
Description: | 4-Methylisatin (CAS# 1128-44-5) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | CC1=C2C(=CC=C1)NC(=O)C2=O |
InChI: | InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)8(11)9(12)10-6/h2-4H,1H3,(H,10,11,12) |
InChI Key: | KDICASSDSSYKMK-UHFFFAOYSA-N |
Density: | 1.301 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
LogP: | 1.26780 |
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 |
WO-2019158019-A1 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | 20180213 |
EP-3753941-A1 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | 20180213 |
CN-108409630-A | The preparation method of 3- hydroxyl -2- indolone derivatives in a kind of water phase | 20180207 |
JP-2018150285-A | Method for producing isatin compound | 20170314 |
CN-105732476-A | Carbazole-isatin type compound and preparation method and application thereof | 20160204 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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