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ADD 93024

CAT: 0931-T29649-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29649-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112523-75-8
Target
Others
Related Pathways
Others
Bioactivity
ADD 93024 is a bioactive chemical.
Smiles
[Na].OC(=O)C1CCC2(C1)CCCCCC2
Molecular Formula
C12H19NaO2
Molecular Weight
218.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Add 93024

structure given in first source; RN given refers to Na salt; RN for parent cpd not avail 8/90

CAS Number112523-75-8
PubChem CID23695960
IUPAC Namesodium spiro[4.6]undecane-3-carboxylate
Molecular FormulaC12H19NaO2
Molecular Weight218.27
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
C1CCCC2(CC1)CCC(C2)C(=O)[O-].[Na+]
InChI
InChI=1S/C12H20O2.Na/c13-11(14)10-5-8-12(9-10)6-3-1-2-4-7-12;/h10H,1-9H2,(H,13,14);/q;+1/p-1
InChIKey
NNJQJGWEJRNEIX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Add 93024
CAS: 112523-75-8
CID: 23695960
Formula: C12H19NaO2
MW: 218.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass218.12827413
Monoisotopic Mass218.12827413
Topological Polar Surface Area40.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
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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