Basic information
- CAS
55544-90-6- Standard SMILES
COc1ccc2c(c1)OC(OC)C(=O)N2O- InChIKey
HMQVOOIFIRGOFZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 4-Hydroxy-2,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 4-hydroxy-2,7-dimethoxy-1,4-benzoxazin-3-one
- English name
- 2,7-Dimethoxy-4-hydroxy-1,4-benzoxazinone
- Molecular formula
- C10H12NO5
- Molecular weight
- 226.20598
Names & synonyms
55544-90-64-Hydroxy-2,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one4-hydroxy-2,7-dimethoxy-1,4-benzoxazin-3-one2,7-Dimethoxy-4-hydroxy-1,4-benzoxazinone8S4QY1XC462H-1,4-Benzoxazin-3(4H)-one, 4-hydroxy-2,7-dimethoxy-4-Hydroxy-2,7-dimethoxy-2H-benzo[b][1,4]oxazin-3(4H)-one2,7-Dimethoxy-4-hydroxy-1,4-benzoxazinone, (+/-)-4-Hydroxy-2,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one; (+/-)-4-Hydroxy-2,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-onestarbld0037511UNII-8S4QY1XC462,7-dimethoxy-4-hydroxy-2h-1,4-benzoxazin-3(4h)-one
Show more names
CHEMBL2269103DTXSID509708854-hydroxy-2,7-dimethoxy-4H-[1,4]benzoxazin-3-one(+/-)-4-HYDROXY-2,7-DIMETHOXY-2H-1,4-BENZOXAZIN-3(4H)-ONE
Database identifiers
- CAS
55544-90-6- PubChem CID
- 150657
- DTXSID
DTXSID50970885
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Acetone, Ethyl Acetate
- form
- Solid
- color
- Light Pink
- FDA UNII
- 8 S4QY1XC46 · 8S4QY1XC46
Chemistry & industry
Applications
Uses2,7-Dimethoxy-4-hydroxy-1,4-benzoxazinone is an intermediate in the synthesis of DIMBOA which acts as an antifungal and antialgal agent in crops. The benzoxazinone group within the structure allows for these effects.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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