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Compound Fr14229

CAT: 0013-GTR19270052-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270052-02Size:5 mg
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Description
Compound Fr14229, with CAS No. 19388-69-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14229 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
19388-69-3
Smiles
NC (=O) C12CCCC (CCC1) C2
Molecular Formula
C10H17NO
Molecular Weight
167.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bicyclo[3.3.1]nonane-1-carboxamide
CAS Number19388-69-3
PubChem CID727247
IUPAC Namebicyclo[3.3.1]nonane-1-carboxamide
Molecular FormulaC10H17NO
Molecular Weight167.25
XLogP2
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1CC2CCCC(C1)(C2)C(=O)N
InChI
InChI=1S/C10H17NO/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H2,11,12)
InChIKey
WWUUCPQLPWUUNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bicyclo[3.3.1]nonane-1-carboxamide
CAS: 19388-69-3
CID: 727247
Formula: C10H17NO
MW: 167.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.25
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass167.131014166
Monoisotopic Mass167.131014166
Topological Polar Surface Area43.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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