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Urolithin A 8-Methyl Ether

CAT: 0572-TRC-U847010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-U847010-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35233-17-1
Synonyms
3-Hydroxy-8-methoxy-6H-dibenzo[b,d]pyran-6-one
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Cc1[n+]([O-])cc(cc1)c2c(cc(Cl)cn2)c3ccc(cc3)S(=O)(C)=O
Molecular Formula
C14H10O4
Molecular Weight
242.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy-8-methoxy-6H-dibenzo(b,d)pyran-6-one
CAS Number35233-17-1
PubChem CID5731430
IUPAC Name3-hydroxy-8-methoxybenzo[c]chromen-6-one
Molecular FormulaC14H10O4
Molecular Weight242.23
XLogP2.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity330
SMILES
COC1=CC2=C(C=C1)C3=C(C=C(C=C3)O)OC2=O
InChI
InChI=1S/C14H10O4/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7,15H,1H3
InChIKey
IGJLBTGXYKPECW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-8-methoxy-6H-dibenzo(b,d)pyran-6-one
CAS: 35233-17-1
CID: 5731430
Formula: C14H10O4
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass242.05790880
Monoisotopic Mass242.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity330
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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CatalogName
sc-475549Urolithin A 8-Methyl Ether
468496-01Urolithin A 8-Trideuteromethyl Ether discontinued
440215-018-O-Methyl-urolithin C
468501-01Urolithin D Tetramethyl Ether
T203182-01Δ8-THC methyl ether
XD163676Daphnetin-8-methyl ether
RM-U181208-01Urolithin Impurity 8
440241-018,9-Di-O-methyl-urolithin D
440240-018,9-di-O-Methyl-urolithin C
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