2-Deoxy-DIMBOA - CAS 69884-05-5
Catalog: |
BB068546 |
Product Name: |
2-Deoxy-DIMBOA |
CAS: |
69884-05-5 |
Synonyms: |
4-Hydroxy-7-methoxy-1,4-benzoxazinone |
IUPAC Name: | 4-hydroxy-7-methoxy-1,4-benzoxazin-3-one |
Description: | 2-Deoxy-DIMBOA is a derivative of DIMBOA (D232745) acts as an antifungal and antialgal agent in crops. The benzoxazinone group within the structure allows for these effects. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC1=CC2=C(C=C1)N(C(=O)CO2)O |
InChI: | InChI=1S/C9H9NO4/c1-13-6-2-3-7-8(4-6)14-5-9(11)10(7)12/h2-4,12H,5H2,1H3 |
InChI Key: | AFMLVQPDSTZQOF-UHFFFAOYSA-N |
References: | Macias, F. et al. J. Agri. Food Chem., 53, 538 (2005); Macias, F. et al. J. Agri. Food Chem., 54, 1040 (2006). |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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