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6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile

6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile structure

CAS No:
50743-19-6
Formula:
C12H9NO2
Chemical Name:
6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile
Synonyms:
4H-1-Benzopyran-3-carbonitrile,6-ethyl-4-oxo-;6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile

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6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile Basic Attributes

Molecular Weight：

199.21

Exact Mass：

199.21

DSSTox ID：

DTXSID50409387

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

2.22708

Melting Point：

121-123 °C @ Solvent: Methanol

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:199.063328530
Monoisotopic Mass:199.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:350
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile

SDS

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