2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
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2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
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CAS No:
518-41-2
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Formula:
C20H12O7
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Chemical Name:
2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
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Synonyms:
Benzoic acid,2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-;2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid;NSC 158916;2-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)benzoic acid
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CAS No:
2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid Basic Attributes
364.3 g/mol
364.31
158916
DTXSID30303531
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:364.3
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:364.05830272
Monoisotopic Mass:364.05830272
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:762
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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