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1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile

1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile structure

CAS No:
52903-71-6
Formula:
C10H10N2O2
Chemical Name:
1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile
Synonyms:
4-Isoquinolinecarbonitrile,1,2,5,6,7,8-hexahydro-3-hydroxy-1-oxo-;1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile;4-Cyano-5,6,7,8-tetrahydro-1,3-dihydroxyisoquinoline;NSC 153281;1-Hydroxy-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile;1,3-Dihydroxy-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile;1-Hydroxy-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile;3-Hydroxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

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1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile Basic Attributes

Molecular Weight：

190.19900

Exact Mass：

190.20

NSC Number：

153281

DSSTox ID：

DTXSID20302735

Characteristics

PSA：

76.88000

XLogP3：

0.83098

Density：

1.37g/cm3

Melting Point：

278 °C

Boiling Point：

511.8ºC

Flash Point：

263.4ºC

Refractive Index：

1.614

Computed Properties

Molecular Weight:190.20
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:190.074227566
Monoisotopic Mass:190.074227566
Topological Polar Surface Area:73.1
Heavy Atom Count:14
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,5,6,7,8-Hexahydro-3-hydroxy-1-oxo-4-isoquinolinecarbonitrile

Basic Attributes
Characteristics
Computed Properties

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