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Phlorisovalerophenone

CAT: 0804-HY-W743521-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W743521-01Size:10 mg
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Description
Phlorisovalerophenone is a natural product[1].
CAS Number
26103-97-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/phlorisovalerophenone.html
Purity
99.93
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(CC(C)C)C1=C(O)C=C(O)C=C1O
Molecular Formula
C11H14O4
Molecular Weight
210.23
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One

3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one is a 2-acylphloroglucinol.

CAS Number26103-97-9
PubChem CID441269
IUPAC Name3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP2.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CC(C)CC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3
InChIKey
VSDWHZGJGWMIRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One
CAS: 26103-97-9
CID: 441269
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area77.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
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
TRC-P339590-10GPhlorisovalerophenone

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