2,4-Dihydroxy-7-Methoxy-2H-1,4-Benzoxazin-3(4H)-One
[CAS# 588716-65-8]

Identification

• Name: 2,4-Dihydroxy-7-Methoxy-2H-1,4-Benzoxazin-3(4H)-One
• Synonyms: 1,4-benzoxazin-3-one, 2,4-dihydroxy-7-methoxy-; 2,4-Dihydroxy-7-methoxy-1,4-benzoxazinone; 2,4-dihydroxy-7-methoxy-2H-benzo[e]1,4-oxazaperhydroin-3-one
• Molecular Formula: C₉H₉NO₅
• Molecular Weight: 211.17
• CAS Registry Number: 588716-65-8
• SMILES: O=C1N(O)c2c(OC1O)cc(OC)cc2
• InChI: 1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
• InChIKey: GDNZNIJPBQATCZ-UHFFFAOYSA-N

Properties

• Density: 1.59g/cm³ (Cal.)
• Boiling point: 461.253°C at 760 mmHg (Cal.)
• Flash point: 232.758°C (Cal.)
• Refractive index: 1.659 (Cal.)

References

• (1): Francisco A. Macías, David Marín, Alberto Oliveros-Bastidas and José M. G. Molinillo. Rediscovering the bioactivity and ecological role of 1,4-benzoxazinones, Nat. Prod. Rep., 2009, 26, 478.