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Robtein

CAT: 0013-GTR19180677Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180677Size:5 mg
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Description
Robtein (CAS 2679-65-4) is a natural product used as a research tool in life sciences. It is employed in both in vitro and in vivo studies to investigate biological processes and mechanisms within cellular and organismal models.
CAS Number
2679-65-4
Smiles
C (=C/C (=O) C1=C (O) C=C (O) C=C1) \C2=CC (O) =C (O) C (O) =C2
Molecular Formula
C15H12O6
Molecular Weight
288.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Robtein

Robtein has been reported in Plathymenia reticulata and Robinia pseudoacacia with data available.

CAS Number2679-65-4
PubChem CID5320470
IUPAC Name(E)-1-(2,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)prop-2-en-1-one
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity384
SMILES
C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C15H12O6/c16-9-2-3-10(12(18)7-9)11(17)4-1-8-5-13(19)15(21)14(20)6-8/h1-7,16,18-21H/b4-1+
InChIKey
NLAXFZHJXUCLDR-DAFODLJHSA-N
Chemical Structure
2D Structure
2D structure of Robtein
CAS: 2679-65-4
CID: 5320470
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area118 Ų
Heavy Atom Count21
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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