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6-Cyanooxindole

6-Cyanooxindole structure

CAS No:
199327-63-4
Formula:
C9H6N2O
Chemical Name:
6-Cyanooxindole
Synonyms:
2-oxo-1,3-dihydroindole-6-carbonitrile;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-Cyanooxindole Basic Attributes

Molecular Weight：

158.15700

Exact Mass：

158.048012819

DSSTox ID：

DTXSID40378396

HScode：

2933790090

Characteristics

PSA：

52.89000

XLogP3：

1.19088

Density：

1.33g/cm3

Boiling Point：

369.4ºC at 760mmHg

Flash Point：

177.2ºC

Refractive Index：

1.632

Vapor Pressure：

1.19E-05mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:158.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:158.048012819
Monoisotopic Mass:158.048012819
Topological Polar Surface Area:52.9
Heavy Atom Count:12
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes