2,4-Dihydroxy-1,4-benzoxazin-3-one
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2,4-Dihydroxy-1,4-benzoxazin-3-one
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CAS No:
17359-54-5
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Formula:
C8H7NO4
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Chemical Name:
2,4-Dihydroxy-1,4-benzoxazin-3-one
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Synonyms:
2H-1,4-Benzoxazin-3(4H)-one,2,4-dihydroxy-;2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one;DIBOA;(±)-DIBOA;(±)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one;2,4-Dihydroxy-1,4-benzoxazin-3-one;2,4-Dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one;84078-34-2
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CAS No:
Description
Solid
DIBOA is a lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. It has a role as a phytotoxin, a herbicide, an allelochemical and a plant metabolite. It is a benzoxazine, a cyclic hydroxamic acid and a lactol.
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.15
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:70
Heavy Atom Count:13
Complexity:220
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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