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Omega-Benzoyl oxyphloracetophenone

CAT: 0931-TN4709Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4709Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65982-77-6
Target
Others
Related Pathways
Others
Bioactivity
Omega-Benzoyl oxyphloracetophenone is a natural product for research related to life sciences. The catalog number is TN4709 and the CAS number is 65982-77-6.
Smiles
O=C(OCC(=O)C=1C(O)=CC(O)=CC1O)C=2C=CC=CC2
Molecular Formula
C15H12O6
Molecular Weight
288.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4,6-Trihydroxybenzoylmethyl benzoate
CAS Number65982-77-6
PubChem CID5146300
IUPAC Name[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl] benzoate
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP2.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H12O6/c16-10-6-11(17)14(12(18)7-10)13(19)8-21-15(20)9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKey
RJDUTONJXJJEBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trihydroxybenzoylmethyl benzoate
CAS: 65982-77-6
CID: 5146300
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
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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