(2-Methyl-n-Butyryl)Shikonin
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(2-Methyl-n-Butyryl)Shikonin
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CAS No:
52387-15-2
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Formula:
C21H24O6
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Chemical Name:
(2-Methyl-n-Butyryl)Shikonin
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Synonyms:
(2-Methylbutyryl)shikonin; (2-METHYL-N-BUTYRYL)SHIKONIN; 5,8-Dihydroxy-2-[1-(2-methylbutyryloxy)-4-methyl-3-pentenyl]-1,4-naphthalenedione;
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:372.4
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:372.15728848
Monoisotopic Mass:372.15728848
Topological Polar Surface Area:101
Heavy Atom Count:27
Complexity:658
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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