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5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile,5-oxo-

5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile,5-oxo- structure

CAS No:
52549-08-3
Formula:
C14H8N2O2
Chemical Name:
5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile,5-oxo-
Synonyms:
5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile, 5-oxo-;(5-oxo-5H-chromeno(2,3-b)pyridin-7-yl)-acetonitrile

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5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile,5-oxo- Basic Attributes

Molecular Weight：

236.23

Exact Mass：

236.059

Characteristics

PSA：

66.89000

XLogP3：

2.40728

Density：

1.365±0.06 g/cm3

Melting Point：

198-201 °C(Solv: ethyl acetate (141-78-6))

Boiling Point：

495.9±45.0 °C(Predicted)

PKA：

0.40±0.20

Computed Properties

Molecular Weight:236.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:236.058577502
Monoisotopic Mass:236.058577502
Topological Polar Surface Area:63
Heavy Atom Count:18
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5H-[1]Benzopyrano[2,3-b]pyridine-7-acetonitrile,5-oxo-

Basic Attributes
Characteristics
Computed Properties

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