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128650-18-0 | 5H-[2]Benzopyrano[3,4-g][1,4]benzodioxin-5-one
CAS No: 128650-18-0 Catalog No: AG000Y9J MDL No:
Product Description
Catalog Number:
AG000Y9J
Chemical Name:
5H-[2]Benzopyrano[3,4-g][1,4]benzodioxin-5-one
CAS Number:
128650-18-0
Molecular Formula:
C15H8O4
Molecular Weight:
252.2216
IUPAC Name:
isochromeno[3,4-g][1,4]benzodioxin-5-one
InChI:
InChI=1S/C15H8O4/c16-15-10-4-2-1-3-9(10)11-7-13-14(8-12(11)19-15)18-6-5-17-13/h1-8H
InChI Key:
PSODIQMVKUIHCN-UHFFFAOYSA-N
SMILES:
O=c1oc2cc3OC=COc3cc2c2c1cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.225g/mol
Monoisotopic Mass:
252.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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