2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
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2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
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CAS No:
100257-69-0
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Formula:
C12H16O4
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Chemical Name:
2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
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Synonyms:
2-piperonyl-butane-1,4-diol;2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol;NSC15697;SCHEMBL9566922;NSC-15697;100257-69-0
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CAS No:
2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol Basic Attributes
224.25 g/mol
224.10485899 g/mol
15697
Computed Properties
Molecular Weight:224.25
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:224.10485899
Monoisotopic Mass:224.10485899
Topological Polar Surface Area:58.9
Heavy Atom Count:16
Complexity:209
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
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