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Avobenzone

CAT: 1410-M15703-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M15703-03Size:500 mg
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Description
Avobenzone is an oil soluble ingredient used in sunscreen products to absorb the full spectrum of UVA rays and a dibenzoylmethane derivative.
CAS Number
70356-09-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
310.39
Molecular Formula
C20H22O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Avobenzone

Avobenzone is a member of dihydrochalcones.

CAS Number70356-09-1
PubChem CID51040
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Molecular FormulaC20H22O3
Molecular Weight310.4
XLogP4.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
InChIKey
XNEFYCZVKIDDMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Avobenzone
CAS: 70356-09-1
CID: 51040
Formula: C20H22O3
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass310.15689456
Monoisotopic Mass310.15689456
Topological Polar Surface Area43.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
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

Alternative Products

CatalogName
B2079-25Avobenzone
TRC-A814671-2.5MGAvobenzone-13CD3

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