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AD 2239

CAT: 0931-T29632-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29632-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90852-27-0
Target
Others
Related Pathways
Others
Bioactivity
AD 2239 is a bioactive chemical.
Smiles
Cl.O=C(C1=CC=C(OC)C(=C1C)C)C(C)CN2CCCC2
Molecular Formula
C17H26ClNO2
Molecular Weight
311.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AD 2239

structure given in first source

CAS Number90852-27-0
PubChem CID146238
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Molecular FormulaC17H26ClNO2
Molecular Weight311.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity325
SMILES
CC1=C(C=CC(=C1C)OC)C(=O)C(C)CN2CCCC2.Cl
InChI
InChI=1S/C17H25NO2.ClH/c1-12(11-18-9-5-6-10-18)17(19)15-7-8-16(20-4)14(3)13(15)2;/h7-8,12H,5-6,9-11H2,1-4H3;1H
InChIKey
QZZRTYDGEHAUFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AD 2239
CAS: 90852-27-0
CID: 146238
Formula: C17H26ClNO2
MW: 311.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass311.1652068
Monoisotopic Mass311.1652068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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