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1-(4-methylsulfonylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

1-(4-methylsulfonylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane structure

CAS No:
97720-17-7
Formula:
C15H20O5S
Chemical Name:
1-(4-methylsulfonylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Synonyms:
Orthobenzoic acid, p-(methylsulfonyl)-, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol;97720-17-7;1-(4-Methylsulfonylphenyl)-4-propylbicycloorthocarboxylate;2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(methylsulfonyl)phenyl)-4-propyl-;DTXSID50243187

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1-(4-methylsulfonylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

312.4 g/mol

Exact Mass：

312.10314491 g/mol

DSSTox ID：

DTXSID50243187

Characteristics

PSA：

70.2 Å²

Computed Properties

Molecular Weight:312.4
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:312.10314491
Monoisotopic Mass:312.10314491
Topological Polar Surface Area:70.2
Heavy Atom Count:21
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2 2 dimethylbutane; interspinous ligament; trisodium citrate; lopamidol; triacetin; 1 pentyl alcohol

Guide of 1-(4-methylsulfonylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Basic Attributes
Characteristics
Computed Properties

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