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HSL-IN-2 100mg

CAT: 0628-A20046-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20046-100Size:100 mg
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CAS Number
654059-21-9

Chemical Information

(S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-carbonyl)isoxazol-5(2H)-one
CAS Number654059-21-9
PubChem CID10038557
IUPAC Name3-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-4-propan-2-yl-1,2-oxazol-5-one
Molecular FormulaC14H22N2O3
Molecular Weight266.34
XLogP2.5
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity428
SMILES
C[C@H]1CCCN(C1)C(=O)N2C(=C(C(=O)O2)C(C)C)C
InChI
InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKey
XWESKOHENXWEAX-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-carbonyl)isoxazol-5(2H)-one
CAS: 654059-21-9
CID: 10038557
Formula: C14H22N2O3
MW: 266.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.34
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass266.16304257
Monoisotopic Mass266.16304257
Topological Polar Surface Area49.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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