3-Methylsulfonyl-5,5-dimethyl-2-isoxazoline

HCID 12137656
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Basic information

Standard SMILES
CC1(C)CC(S(C)(=O)=O)=NO1
InChIKey
INCOVWJZVJYEAC-UHFFFAOYSA-N
Molecular formula
C6H11NO3S
Average molar mass
177.22 g/mol
Monoisotopic mass
177.04596439

Names & identifiers

Preferred name
3-Methylsulfonyl-5,5-dimethyl-2-isoxazoline
IUPAC
5,5-dimethyl-3-methylsulfonyl-4H-1,2-oxazole

Names & synonyms

SCHEMBL1412515INCOVWJZVJYEAC-UHFFFAOYSA-N3-methylsulfonyl-5,5-dimethyl-2-isoxazoline5,5-dimethyl-3-methylsulfonyl-2-isoxazoline3-Methane-sulfonyl-5,5-dimethyl-4,5-dihydroisoxazole3-Methanesulfonyl-5,5-dimethyl-4,5-dihydroisoxazole

Database identifiers

PubChem CID
12137656

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
64.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Related reactions

24 records
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Compound notes

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