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Braylin

CAT: 0926-GAA05410-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GAA05410-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6054-10-0
MDL Number
MFCD20260458
Smiles
CC1 (C=CC2=C3C (=CC (=C2O1) OC) C=CC (=O) O3) C
Molecular Formula
C15H14O4
Molecular Weight
258.27 g/mol
Controlled
No

Chemical Information

Braylin

6-methoxy-8,8-dimethylpyrano[2,3-h]chromen-2-one has been reported in Cedrelopsis grevei, Geleznowia verrucosa, and other organisms with data available.

CAS Number6054-10-0
PubChem CID618370
IUPAC Name6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP2.8
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity437
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C=CC(=O)O3)C
InChI
InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3
InChIKey
UOFNVZWWIXXTMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Braylin
CAS: 6054-10-0
CID: 618370
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area44.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity437
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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