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2,3-dihydro-1,4-Isoquinolinedione

2,3-dihydro-1,4-Isoquinolinedione structure

CAS No:
31053-30-2
Formula:
C9H7NO2
Chemical Name:
2,3-dihydro-1,4-Isoquinolinedione
Synonyms:
2,3-dihydro-1,4-Isoquinolinedione;2,3-DIHYDRO-ISOQUINOLINE-1,4-DIONE;1,4-Isoquinolinedione, 2,3-dihydro-

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2,3-dihydro-1,4-Isoquinolinedione Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.047678466

DSSTox ID：

DTXSID90500781

Characteristics

Density：

1.286±0.06 g/cm3

Melting Point：

>300 °C

Boiling Point：

455.1±25.0 °C(Predicted)

PKA：

13.10±0.20

Computed Properties

Molecular Weight:161.16
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:46.2
Heavy Atom Count:12
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-dihydro-1,4-Isoquinolinedione

Basic Attributes
Characteristics
Computed Properties

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