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2-Butyryldimedone

2-Butyryldimedone structure

CAS No:
17450-95-2
Formula:
C12H18O3
Chemical Name:
2-Butyryldimedone
Synonyms:
2-Butyryldimedone;1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-;2-butanoyl-5,5-dimethylcyclohexane-1,3-dione;2-Butyryldimedon;SCHEMBL9396153;CTK0A7508;DTXSID50391031;AKOS030254764;ZINC101950031;FT-0664164

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2-Butyryldimedone Basic Attributes

Molecular Weight：

210.26952

Exact Mass：

210.126

DSSTox ID：

DTXSID50391031

Characteristics

PSA：

51.2

XLogP3：

1.6

2-Butyryldimedone Use and Manufacturing

Intermediate in the preparation of 1,3-cyclohexanedione derivatives used to make herbicides and antimicrobial compounds.

Computed Properties

Molecular Weight:210.27
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.125594432
Monoisotopic Mass:210.125594432
Topological Polar Surface Area:51.2
Heavy Atom Count:15
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Butyryldimedone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

2-Butyryldimedone

SDS

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