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Home> Hot Product Listed X   > Xanthoxyletin

Xanthoxyletin

Iupac Name:5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
CAS No.:84-99-1
Molecular Weight:318.94318
Molecular Formula:C13H12O2Sn (Products with the same molecular formula)
MOL File:84-99-1.mol
Names and Identifiers
Synonyms

Xanthoxyletin5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-oneXanthoxylin N5-methoxy-8,8-dimethylpyrano[3,2-g]chromen-2-oneXanthoxyloin5-methoxy-8,8-dimethyl-pyrano[3,2-g]chromen-2-one

Inchi
InChI=1/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
Canonical Smiles
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C
Properties
Density
1.225g/cm3
Boiling Point
438.6°C at 760 mmHg
Refractive Index
1.57
Flash Point
197.2°C
Precursor and Product
Computational chemical data

Molecular Weight:258.26926 [g/mol]
Molecular Formula:C15H14O4
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:258.089209
MonoIsotopic Mass:258.089209
Topological Polar Surface Area:44.8
Heavy Atom Count:19
Formal Charge:0
Complexity:437
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.4
Conformer Sampling RMSD:0.6
CID Conformer Count:1

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