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CAI-1

CAT: 0013-GTR19195241-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195241-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAI-1 is a small molecule autoinducer essential for Vibrio cholerae quorum sensing. It is a key research tool for studying bacterial communication, virulence regulation, and biofilm formation in both in vitro assays and in vivo infection models.
CAS Number
361445-27-4
Field of Research
Cell Biology, Infectious Disease & Virology
Smiles
C (CCCCCCCCC) (C (CC) =O) O
Molecular Formula
C13H26O2
Molecular Weight
214.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxytridecan-4-one
CAS Number361445-27-4
PubChem CID53262910
IUPAC Name3-hydroxytridecan-4-one
Molecular FormulaC13H26O2
Molecular Weight214.34
XLogP4.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity155
SMILES
CCCCCCCCCC(=O)C(CC)O
InChI
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12,14H,3-11H2,1-2H3
InChIKey
OWRHIIOUJRCXDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxytridecan-4-one
CAS: 361445-27-4
CID: 53262910
Formula: C13H26O2
MW: 214.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.34
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass214.193280068
Monoisotopic Mass214.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity155
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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