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Thalidomide-NH-C10-COOH

CAT: 0127-OR1007187-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1007187-01Size:100 mg
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CAS Number
2428400-33-1
Purity
97%
Smiles
O=C(N(C1=O)C(C(N2)=O)CCC2=O)C3=C1C=CC=C3NCCCCCCCCCCC(O)=O

Chemical Information

Thalidomide-NH-C10-COOH
CAS Number2428400-33-1
PubChem CID145925674
IUPAC Name11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanoic acid
Molecular FormulaC24H31N3O6
Molecular Weight457.5
XLogP4.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity754
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H31N3O6/c28-19-14-13-18(22(31)26-19)27-23(32)16-10-9-11-17(21(16)24(27)33)25-15-8-6-4-2-1-3-5-7-12-20(29)30/h9-11,18,25H,1-8,12-15H2,(H,29,30)(H,26,28,31)
InChIKey
ZVXZSTZZOBYFRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-C10-COOH
CAS: 2428400-33-1
CID: 145925674
Formula: C24H31N3O6
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass457.22128572
Monoisotopic Mass457.22128572
Topological Polar Surface Area133 Ų
Heavy Atom Count33
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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