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2,6-Dimethyl-3-O-methyl-

CAT: 0931-TN2740Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2740Size:5 mg
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CAS Number
97761-91-6
Target
Others
Related Pathways
Others
Bioactivity
2,6-Dimethyl-3-O-methyl- is a natural product for research related to life sciences. The catalog number is TN2740 and the CAS number is 97761-91-6.
Smiles
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1OC
Molecular Formula
C14H20O4
Molecular Weight
252.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol

2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol has been reported in Hagenia abyssinica with data available.

CAS Number97761-91-6
PubChem CID86131433
IUPAC Name1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
Molecular FormulaC14H20O4
Molecular Weight252.31
XLogP3.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity292
SMILES
CCC(C)C(=O)C1=C(C(=C(C(=C1OC)C)O)C)O
InChI
InChI=1S/C14H20O4/c1-6-7(2)11(15)10-13(17)8(3)12(16)9(4)14(10)18-5/h7,16-17H,6H2,1-5H3
InChIKey
QMIYXGPKSPBDTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol
CAS: 97761-91-6
CID: 86131433
Formula: C14H20O4
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass252.13615911
Monoisotopic Mass252.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes