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Norbraylin

CAT: 0013-GTR19180931-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180931-01Size:5 mg
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Description
Norbraylin
CAS Number
60796-64-7
Field of Research
Metabolism Research
Smiles
CC1 (C) Oc2c (O) cc3ccc (=O) oc3c2C=C1
Molecular Formula
C14H12O4
Molecular Weight
244.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Norbraylin

6-hydroxy-8,8-dimethylpyrano[2,3-f]chromen-2-one has been reported in Cedrelopsis grevei, Toddalia asiatica, and Zanthoxylum asiaticum with data available.

CAS Number60796-64-7
PubChem CID10105863
IUPAC Name6-hydroxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
Molecular FormulaC14H12O4
Molecular Weight244.24
XLogP2.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity424
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)O)C=CC(=O)O3)C
InChI
InChI=1S/C14H12O4/c1-14(2)6-5-9-12-8(3-4-11(16)17-12)7-10(15)13(9)18-14/h3-7,15H,1-2H3
InChIKey
OYPWMLRFDXSKJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Norbraylin
CAS: 60796-64-7
CID: 10105863
Formula: C14H12O4
MW: 244.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass244.07355886
Monoisotopic Mass244.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity424
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
KCA79664-01Norbraylin

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