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Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate structure

CAS No:
122665-86-5
Formula:
C14H13N3O3
Chemical Name:
Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate
Synonyms:
1-Phthalazineacetic acid,3-(cyanomethyl)-3,4-dihydro-4-oxo-,ethyl ester;Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

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Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate Basic Attributes

Molecular Weight：

271.27

Exact Mass：

271.27

EC Number：

429-680-0

DSSTox ID：

DTXSID60384893

Characteristics

PSA：

82.8

XLogP3：

1.4

Melting Point：

113-114 °C

Safety Information

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501

Computed Properties

Molecular Weight:271.27
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:271.09569129
Monoisotopic Mass:271.09569129
Topological Polar Surface Area:82.8
Heavy Atom Count:20
Complexity:477
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

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