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diethyl 2,4,6-trioxoheptanedioate

diethyl 2,4,6-trioxoheptanedioate structure

CAS No:
68854-18-2
Formula:
C11H14O7
Chemical Name:
diethyl 2,4,6-trioxoheptanedioate
Synonyms:
diethylacetonedioxalate; 2,4,6-trioxo-heptanedioic acid diethyl ester; T.P.E.; diethoxalylacetone; 2,4,6-Trioxo-heptandisaeure-diaethylester; UNII-0V98KE489V; diethyl 2,4,6-trioxoheptanedicarboxylate;Expand

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diethyl 2,4,6-trioxoheptanedioate Basic Attributes

Molecular Weight：

258.22500

Exact Mass：

258.07395278 g/mol

UNII：

0V98KE489V

NSC Number：

229347

DSSTox ID：

DTXSID80218949

HScode：

2918300090

Characteristics

PSA：

103.81000

XLogP3：

-0.39990

Density：

1.238g/cm3

Boiling Point：

346.9ºC at 760 mmHg

Flash Point：

151.9ºC

Refractive Index：

1.455

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:258.22
XLogP3:0.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:258.07395278
Monoisotopic Mass:258.07395278
Topological Polar Surface Area:104
Heavy Atom Count:18
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diethyl 2,4,6-trioxoheptanedioate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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