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Robinetinidin chloride

CAT: 1410-M32011-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Robinetinidin chloride is a natural product for research related to life sciences.
CAS Number
3020-09-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.7
Molecular Formula
C15H11ClO6
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Robinetinidin chloride
CAS Number3020-09-5
PubChem CID16212723
IUPAC Name5-(3,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol chloride
Molecular FormulaC15H11ClO6
Molecular Weight322.69
Topological Polar Surface Area102
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity352
SMILES
C1=CC(=CC2=[O+]C(=C(C=C21)O)C3=CC(=C(C(=C3)O)O)O)O.[Cl-]
InChI
InChI=1S/C15H10O6.ClH/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8;/h1-6H,(H4-,16,17,18,19,20);1H
InChIKey
SSFSVCKWRJIXDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Robinetinidin chloride
CAS: 3020-09-5
CID: 16212723
Formula: C15H11ClO6
MW: 322.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.69
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass322.0244158
Monoisotopic Mass322.0244158
Topological Polar Surface Area102 Ų
Heavy Atom Count22
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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