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Thalidomide-NH-CH2-COOH

CAT: 0127-BUP16442Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16442Size:10 mg
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CAS Number
927670-97-1
Synonyms
2-[[2- (2,6-dioxopiperidin-3-yl) -1,3-dioxoisoindol-4-yl]amino]acetic acid, (2- (2,6-Dioxopiperidin-3-yl) -1,3-dioxoisoindolin-4-yl) glycine
Purity
=95%
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCC(O)=O

Chemical Information

Thalidomide-NH-CH2-COOH
CAS Number927670-97-1
PubChem CID58827328
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
Molecular FormulaC15H13N3O6
Molecular Weight331.28
XLogP0.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity618
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(=O)O
InChI
InChI=1S/C15H13N3O6/c19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21/h1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22)
InChIKey
LRGLFYOYKPSPJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-CH2-COOH
CAS: 927670-97-1
CID: 58827328
Formula: C15H13N3O6
MW: 331.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.28
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass331.08043514
Monoisotopic Mass331.08043514
Topological Polar Surface Area133 Ų
Heavy Atom Count24
Formal Charge0
Complexity618
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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