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1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane structure

CAS No:
31185-67-8
Formula:
C9H9F7O3
Chemical Name:
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Synonyms:
31185-67-8;Orthobutyric acid, heptafluoro-, cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol (1:1);BRN 1382260;Heptafluoroorthobutyric acid cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol;DTXSID90185113

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1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

298.15 g/mol

Exact Mass：

298.04399128 g/mol

DSSTox ID：

DTXSID90185113

Characteristics

PSA：

27.7 Å²

1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:298.15
XLogP3:2.5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:298.04399128
Monoisotopic Mass:298.04399128
Topological Polar Surface Area:27.7
Heavy Atom Count:19
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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