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8-Acetyl-7-hydroxycoumarin

CAT: 0804-HY-138145-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138145-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8-Acetyl-7-hydroxycoumarin is a coumarin-like compound found in Mexican patchouli (Tagetes lucida) that has anti-bacterial and anti-fungal activities[1].
CAS Number
6748-68-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Fungal
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/8-acetyl-7-hydroxycoumarin.html
Purity
99.78
Solubility
10 mM in DMSO
Smiles
O=C1C=CC2=CC=C(O)C(C(C)=O)=C2O1
Molecular Formula
C11H8O4
Molecular Weight
204.18
Precautions
H302, H315, H319, H335
References & Citations
[1]Céspedes C L, et al. Antifungal and antibacterial activities of Mexican tarragon (Tagetes lucida) [J]. Journal of agricultural and food chemistry, 2006, 54 (10) : 3521-3527.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

8-Acetyl-7-hydroxycoumarin

8-Acetyl-7-hydroxycoumarin has been reported in Asteraceae with data available.

CAS Number6748-68-1
PubChem CID5411574
IUPAC Name8-acetyl-7-hydroxychromen-2-one
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP1.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity321
SMILES
CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O
InChI
InChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3
InChIKey
XWYMACPLPPQCHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Acetyl-7-hydroxycoumarin
CAS: 6748-68-1
CID: 5411574
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity321
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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