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Adn 138

CAT: 0931-T29665-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29665-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99434-90-9
Target
Others
Related Pathways
Others
Bioactivity
Adn 138 is a bioactive chemical.
Smiles
O=C1NC(=O)C2(C(=O)N3C=4C(OCC3)=CC(Cl)=CC42)C1
Molecular Formula
C13H9ClN2O4
Molecular Weight
292.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adn 138

structure given in first source

CAS Number99434-90-9
PubChem CID127323
IUPAC Name6-chlorospiro[9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-3,3'-pyrrolidine]-2,2',5'-trione
Molecular FormulaC13H9ClN2O4
Molecular Weight292.67
XLogP0.2
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity525
SMILES
C1COC2=CC(=CC3=C2N1C(=O)C34CC(=O)NC4=O)Cl
InChI
InChI=1S/C13H9ClN2O4/c14-6-3-7-10-8(4-6)20-2-1-16(10)12(19)13(7)5-9(17)15-11(13)18/h3-4H,1-2,5H2,(H,15,17,18)
InChIKey
WSLOHMLGIVSUPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adn 138
CAS: 99434-90-9
CID: 127323
Formula: C13H9ClN2O4
MW: 292.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.67
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass292.0250845
Monoisotopic Mass292.0250845
Topological Polar Surface Area75.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity525
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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