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2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione

2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione structure

CAS No:
6627-17-4
Formula:
C18H12O5
Chemical Name:
2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione
Synonyms:
6627-17-4;2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione;NSC58340;NCIOpen2_007921;DTXSID70288974;NSC-58340

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2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione Basic Attributes

Molecular Weight：

308.3 g/mol

Exact Mass：

308.06847348 g/mol

NSC Number：

58340

DSSTox ID：

DTXSID70288974

Characteristics

PSA：

72.8 Å²

Computed Properties

Molecular Weight:308.3
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:308.06847348
Monoisotopic Mass:308.06847348
Topological Polar Surface Area:72.8
Heavy Atom Count:23
Complexity:540
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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