2-(Aminooxy)-4-(methylthio)butyric acid
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Basic information
- CAS
54533-39-0- Standard SMILES
CSCCC(ON)C(=O)O- InChIKey
HPLQZHNLNSWRLR-UHFFFAOYSA-N- Molecular formula
- C5H11NO3S
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.04596439
Names & identifiers
- Preferred name
- 2-(Aminooxy)-4-(methylthio)butyric acid
- IUPAC
- 2-aminooxy-4-methylsulfanylbutanoic acid
- English name
- 2-(Aminooxy)-4-(methylthio)butyric acid
- Molecular formula
- C5H11NO3S
- Molecular weight
- 165.21
Names & synonyms
2-(Aminooxy)-4-(methylthio)butyric acidButanoic acid, 2-(aminooxy)-4-(methylthio)-HPLQZHNLNSWRLR-UHFFFAOYSA-N54533-39-0DB-3233442-(Aminooxy)-4-(methylsulfanyl)butanoic acid #
Database identifiers
- CAS
54533-39-0- PubChem CID
- 548373
- Nikkaji
- J144.407G
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
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Compound notes
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