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3,6-Diethyl-1,4-dioxane-2,5-dione

3,6-Diethyl-1,4-dioxane-2,5-dione structure

CAS No:
4374-57-6
Formula:
C8H12O4
Chemical Name:
3,6-Diethyl-1,4-dioxane-2,5-dione
Synonyms:
3,6-Diethyl-1,4-dioxane-2,5-dione;NSC408313;p-Dioxane-2,5-dione, 3,6-diethyl-;1,4-Dioxane-2,5-dione, 3,6-diethyl-;SCHEMBL949605;1,5-dione, 3,6-diethyl-;p-Dioxane-2, 3,6-diethyl-;CTK8I7472;DTXSID10325039;Butanoic acid, bimol. cyclic ester

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3,6-Diethyl-1,4-dioxane-2,5-dione Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.074

NSC Number：

408313

DSSTox ID：

DTXSID10325039

HScode：

2934999090

Characteristics

PSA：

52.6

XLogP3：

1.7

Density：

1.098g/cm3

Boiling Point：

306.8ºC at 760 mmHg

Flash Point：

157.2ºC

Refractive Index：

1.431

Computed Properties

Molecular Weight:172.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Complexity:177
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,6-Diethyl-1,4-dioxane-2,5-dione

Basic Attributes
Characteristics
Computed Properties

3,6-Diethyl-1,4-dioxane-2,5-dione

SDS

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