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Phloretin 98%

CAT: 0286-P16570-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-P16570-01Size:100 mg
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CAS Number
60-82-2
Synonyms
2',4',6'-Trihydroxy-3- (4-hydroxyphenyl) -propiophenone, 3- (4-Hydroxyphenyl) -1- (2,4,6-trihydroxyphenyl) -1-propanone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002288
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Phloretin

Phloretin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. It has a role as an antineoplastic agent and a plant metabolite. It is functionally related to a dihydrochalcone.

CAS Number60-82-2
PubChem CID4788
IUPAC Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Molecular FormulaC15H14O5
Molecular Weight274.27
XLogP2.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity312
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
InChIKey
VGEREEWJJVICBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phloretin
CAS: 60-82-2
CID: 4788
Formula: C15H14O5
MW: 274.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.27
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass274.08412354
Monoisotopic Mass274.08412354
Topological Polar Surface Area98 Ų
Heavy Atom Count20
Formal Charge0
Complexity312
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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CatalogName
M18884-01Phloretin

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