2,2-Dimethyl-4-oxochroman-6-carboxylic Acid - CAS 65372-54-5
Catalog: |
BB032713 |
Product Name: |
2,2-Dimethyl-4-oxochroman-6-carboxylic Acid |
CAS: |
65372-54-5 |
Synonyms: |
2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid; 2,2-dimethyl-4-oxo-3H-chromene-6-carboxylic acid |
IUPAC Name: | 2,2-dimethyl-4-oxo-3H-chromene-6-carboxylic acid |
Description: | 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic Acid, can be isolated from C. viscidiflorus lanceolatus along with Viscidone. It can be used for the preparation of chromanone and chromone analogues of diacylhydrazines, having insecticidal activity. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | CC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)O)C |
InChI: | InChI=1S/C12H12O4/c1-12(2)6-9(13)8-5-7(11(14)15)3-4-10(8)16-12/h3-5H,6H2,1-2H3,(H,14,15) |
InChI Key: | PTOMGSWLGSRLCK-UHFFFAOYSA-N |
LogP: | 2.12860 |
Publication Number | Title | Priority Date |
US-2010028278-A1 | Use of chroman-4-one derivatives | 20070316 |
WO-2008113450-A2 | Use of chroman-4-on-derivatives | 20070316 |
CA-2466284-A1 | N, n'-substituted-1,3-diamino-2-hydroxypropane derivatives | 20011108 |
CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | 20011108 |
EP-1453789-A2 | N,n'-substituted-1,3-diamino-2-hydroxypropane derivatives | 20011108 |
PMID | Publication Date | Title | Journal |
22134399 | 20111201 | Antimicrobial activity of Piper gaudichaudianum Kuntze and its synergism with different antibiotics | Molecules (Basel, Switzerland) |
21583686 | 20090729 | N'-tert-Butyl-N'-(3,5-dimethyl-benzo-yl)-2,2-dimethyl-4-oxochroman-6-carbo-hydrazide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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