Quinoline-2,4(1H,3H)-dione - CAS 52851-41-9
Catalog: |
BB057885 |
Product Name: |
Quinoline-2,4(1H,3H)-dione |
CAS: |
52851-41-9 |
Synonyms: |
Quinoline-2,4-dione |
IUPAC Name: | 1H-quinoline-2,4-dione |
Description: | Quinoline-2,4(1H,3H)-dione is a reagent for the synthesis of 2H-pyrans and alkaloid Flindersine. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1C(=O)C2=CC=CC=C2NC1=O |
InChI: | InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12) |
InChI Key: | YZMVLKJJJCMVGX-UHFFFAOYSA-N |
References: | De Groot, A., et al. Tetrahedron Lett., 39, 3407 (1975). |
Complexity: | 225 |
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: | 46.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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