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Thalidomide-O-C5-acid

CAT: 0607-BA3060-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3060-50Size:50 mg
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CAS Number
2087490-48-8
Form
A solid
Molecular Formula
C19H20N2O7
Molecular Weight
388.37
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Thalidomide-O-C5-acid
CAS Number2087490-48-8
PubChem CID132212109
IUPAC Name6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexanoic acid
Molecular FormulaC19H20N2O7
Molecular Weight388.4
XLogP0.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity677
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCC(=O)O
InChI
InChI=1S/C19H20N2O7/c22-14-9-8-12(17(25)20-14)21-18(26)11-5-4-6-13(16(11)19(21)27)28-10-3-1-2-7-15(23)24/h4-6,12H,1-3,7-10H2,(H,23,24)(H,20,22,25)
InChIKey
PBZGPWVWKSADLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-C5-acid
CAS: 2087490-48-8
CID: 132212109
Formula: C19H20N2O7
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass388.12705098
Monoisotopic Mass388.12705098
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity677
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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