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2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione

2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione structure

CAS No:
565193-20-6
Formula:
C17H13NO4
Chemical Name:
2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione
Synonyms:
2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione;2-(2H-1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione;565193-20-6;Enamine_005191;SCHEMBL2592761;HMS1408L21;ZINC3276925;AKOS000115063;CCG-276780;MCULE-3009760776;IDI1_007778;EN300-01481;2-(1,3-benzodioxol-5-yl-methyl)isoquinoline-1,3(2h,4h)-dione

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2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione Basic Attributes

Molecular Weight：

295.29 g/mol

Exact Mass：

295.08445790 g/mol

Characteristics

PSA：

55.8 Å²

XLogP3：

2.0783

Melting Point：

163 - 164 °C (ethanol)

Computed Properties

Molecular Weight:295.29
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:295.08445790
Monoisotopic Mass:295.08445790
Topological Polar Surface Area:55.8
Heavy Atom Count:22
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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