4,6-Dimethoxyindoline-2,3-dione - CAS 21544-81-0
Catalog: |
BB046627 |
Product Name: |
4,6-Dimethoxyindoline-2,3-dione |
CAS: |
21544-81-0 |
Synonyms: |
4,6-Dimethoxyisatin; 4,6-dimethoxy-2,3-dihydro-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 4,6-dimethoxy-; 4,6-dimethoxy-2,3-dioxoindoline |
IUPAC Name: | 4,6-dimethoxy-1H-indole-2,3-dione |
Description: | 4,6-Dimethoxyindoline-2,3-dione (CAS# 21544-81-0 ) is a useful research chemical. |
Molecular Weight: | 207.18 |
Molecular Formula: | C10H9NO4 |
Canonical SMILES: | COC1=CC2=C(C(=C1)OC)C(=O)C(=O)N2 |
InChI: | InChI=1S/C10H9NO4/c1-14-5-3-6-8(7(4-5)15-2)9(12)10(13)11-6/h3-4H,1-2H3,(H,11,12,13) |
InChI Key: | FAMGTYWNHVETJC-UHFFFAOYSA-N |
Melting Point: | 300-304 °C |
Purity: | ≥ 95 % |
Density: | 1.332 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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