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8-O-Methyl-urolithin C

CAT: 0572-TRC-M338210-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338210-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
713519-19-8
Synonyms
3,9-Dihydroxy-8-methoxy-6H-dibenzo[b,d]pyran-6-one;
Hazard Statement
No Data Available
Smiles
O=C1OC2=C(C3=CC(O)=C(C=C13)OC)C=CC(O)=C2
Molecular Formula
C14H10O5
Molecular Weight
258.23
InChI
InChI=1S/C14H10O5/c1-18-13-6-10-9(5-11(13)16)8-3-2-7(15)4-12(8)19-14(10)17/h2-6,15-16H,1H3
Additionnal Information
IUPAC name: 3,9-dihydroxy-8-methoxy-6H-benzo[c]chromen-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

8-O-Methyl-urolithin C
CAS Number713519-19-8
PubChem CID102178085
IUPAC Name3,9-dihydroxy-8-methoxybenzo[c]chromen-6-one
Molecular FormulaC14H10O5
Molecular Weight258.23
XLogP2.3
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity358
SMILES
COC1=C(C=C2C3=C(C=C(C=C3)O)OC(=O)C2=C1)O
InChI
InChI=1S/C14H10O5/c1-18-13-6-10-9(5-11(13)16)8-3-2-7(15)4-12(8)19-14(10)17/h2-6,15-16H,1H3
InChIKey
VSSKAHKUAQIXLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-O-Methyl-urolithin C
CAS: 713519-19-8
CID: 102178085
Formula: C14H10O5
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass258.05282342
Monoisotopic Mass258.05282342
Topological Polar Surface Area76 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
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