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Gaboxadol Hydrochloride

CAT: 0127-OR1026939-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026939-01Size:100 mg
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CAS Number
85118-33-8
Synonyms
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one; hydrochloride
Purity
98%
Smiles
C1CNCC2=C1C(=O)NO2.Cl

Chemical Information

Gaboxadol hydrochloride
CAS Number85118-33-8
PubChem CID5702253
IUPAC Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity210
SMILES
C1CNCC2=C1C(=O)NO2.Cl
InChI
InChI=1S/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H
InChIKey
ZDZDSZQYRBZPNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gaboxadol hydrochloride
CAS: 85118-33-8
CID: 5702253
Formula: C6H9ClN2O2
MW: 176.60
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.60
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass176.0352552
Monoisotopic Mass176.0352552
Topological Polar Surface Area50.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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