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2-Methyl-3-(3-methylbut-2-enyl)-4,5-dihydro-1,3-oxazol-3-ium (HCID 20474262)|Huagongshe
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Compound
2-Methyl-3-(3-methylbut-2-enyl)-4,5-dihydro-1,3-oxazol-3-ium
HCID
20474262
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)=CC[N+]1=C(C)OCC1
InChIKey
OBMQGHZPQHMMOR-UHFFFAOYSA-N
Molecular formula
C9H16NO+
Average molar mass
154.23 g/mol
Names & identifiers
Preferred name
2-Methyl-3-(3-methylbut-2-enyl)-4,5-dihydro-1,3-oxazol-3-ium
IUPAC
2-methyl-3-(3-methylbut-2-enyl)-4,5-dihydro-1,3-oxazol-3-ium
Names & synonyms
SCHEMBL11108029
Database identifiers
PubChem CID
20474262
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
12.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
1
Complexity
200
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Related reactions
1 records
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As solvent
HRID
677154
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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