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Diacetylphloroglucinol

CAT: 0543-D051-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0543-D051-25MGSize:25 mg
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CAS Number
2161-86-6
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C10H10O5
Molecular Weight
210.2
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

2,4-Diacetylphloroglucinol

2,4-diacetylphloroglucinol is a benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. It has a role as an antifungal agent and a bacterial metabolite. It is a benzenetriol, a diketone, a methyl ketone and an aromatic ketone. It is functionally related to a phloroglucinol. It is a conjugate acid of a 2,4-diacetylphloroglucinol(1-).

CAS Number2161-86-6
PubChem CID16547
IUPAC Name1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
Molecular FormulaC10H10O5
Molecular Weight210.18
XLogP1.3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity249
SMILES
CC(=O)C1=C(C(=C(C=C1O)O)C(=O)C)O
InChI
InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3
InChIKey
PIFFQYJYNWXNGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diacetylphloroglucinol
CAS: 2161-86-6
CID: 16547
Formula: C10H10O5
MW: 210.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.18
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass210.05282342
Monoisotopic Mass210.05282342
Topological Polar Surface Area94.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity249
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-D365500-1G2,4-Diacetylphloroglucinol
MBS6084892-012,4-Diacetylphloroglucinol (DAPG)
HY-118448R-012,4-Diacetylphloroglucinol (Standard)
257280-012,4-Diacetylphloroglucinol discontinued. See D3441-58

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