2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
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Basic information
- CAS
69804-59-7- Standard SMILES
O=C1Nc2ccc(O)cc2OC1O- InChIKey
HDRDOKTYPONKPM-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Overview
(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is a benzoxazine.
Names & identifiers
- Preferred name
- 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 2,7-dihydroxy-4H-1,4-benzoxazin-3-one
- English name
- 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.15
Names & synonyms
69804-59-72,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one2,7-dihydroxy-4H-1,4-benzoxazin-3-oneDHBOA2,7-Dihydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one2,7-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-oneorb1683782SCHEMBL29999019DTXSID10454217CHEBI:180374UCA80459
Show more names
2H-1,4-Benzoxazin-3(4H)-one, 2,7-dihydroxy-
MFCD18450434TN27442,7-dihydroxy-1,4-benzoxazin-3-oneAKOS022184722FS-8970DB-3297132,7-Dihydroxy- H-1,4-benzoxazin-3( H)-oneB2703-429350
Database identifiers
- CAS
69804-59-7- PubChem CID
- 11074014
- DTXSID
DTXSID10454217- ChEBI
CHEBI:180374- Nikkaji
- J2.710.713C
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is a Alkaloids product that can be isolated from the roots of Scoparia dulcis[1].
Additional notes
DefinitionChEBI: (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is a benzoxazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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