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2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione

2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione structure

CAS No:
72590-26-2
Formula:
C15H12O5
Chemical Name:
2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Synonyms:
72590-26-2;NSC269127;DTXSID30313337;ZINC1560402;NSC-269127;OBTUSAQUINONE DERIV JURD 2562;2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione

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2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione Basic Attributes

Molecular Weight：

272.25 g/mol

Exact Mass：

272.06847348 g/mol

NSC Number：

269127

DSSTox ID：

DTXSID30313337

Characteristics

PSA：

61.8 Å²

Computed Properties

Molecular Weight:272.25
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:272.06847348
Monoisotopic Mass:272.06847348
Topological Polar Surface Area:61.8
Heavy Atom Count:20
Complexity:491
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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