3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione
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3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione
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CAS No:
15298-00-7
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Formula:
C15H16O5
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Chemical Name:
3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione
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Synonyms:
15298-00-7;NSC100407;3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione;NCIOpen2_006801;SCHEMBL5807577;DTXSID70295209;NSC-100407;CC(C)(O)C(O)CC1=C(O)C(=O)c2ccccc2C1=O;2-Hydroxy-3-(2,3-dihydroxy-3-methylbutyl)-1,4-naphthoquinone
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CAS No:
3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione Basic Attributes
276.28 g/mol
276.09977361 g/mol
100407
DTXSID70295209
Computed Properties
Molecular Weight:276.28
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:276.09977361
Monoisotopic Mass:276.09977361
Topological Polar Surface Area:94.8
Heavy Atom Count:20
Complexity:463
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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