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Communol A

CAT: 0013-GTR19231548-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231548-02Size:2 mg
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Description
Communol A (CAS 1421931-60-3) is a natural product suitable for use as an analytical reference standard. It is utilized in phytochemical and pharmacological research, including in vitro studies to investigate its biological activities.
CAS Number
1421931-60-3
Smiles
CC (=O) c1cc (C) c (O) c (Cc2c (O) cc (C) oc2=O) c1O
Molecular Formula
C16H16O6
Molecular Weight
304.298
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Communol A
CAS Number1421931-60-3
PubChem CID60155657
IUPAC Name3-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-4-hydroxy-6-methylpyran-2-one
Molecular FormulaC16H16O6
Molecular Weight304.29
XLogP2.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity547
SMILES
CC1=CC(=C(C(=C1O)CC2=C(C=C(OC2=O)C)O)O)C(=O)C
InChI
InChI=1S/C16H16O6/c1-7-4-10(9(3)17)15(20)12(14(7)19)6-11-13(18)5-8(2)22-16(11)21/h4-5,18-20H,6H2,1-3H3
InChIKey
YDPQBRNETZDLEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Communol A
CAS: 1421931-60-3
CID: 60155657
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.29
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass304.09468823
Monoisotopic Mass304.09468823
Topological Polar Surface Area104 Ų
Heavy Atom Count22
Formal Charge0
Complexity547
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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