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139458-12-1 | 2H-[1,4]Benzodioxino[2,3-g]-1-benzopyran-2-one
CAS No: 139458-12-1 Catalog No: AG001B1N MDL No:
Product Description
Catalog Number:
AG001B1N
Chemical Name:
2H-[1,4]Benzodioxino[2,3-g]-1-benzopyran-2-one
CAS Number:
139458-12-1
Molecular Formula:
C15H8O4
Molecular Weight:
252.2216
IUPAC Name:
pyrano[2,3-b]oxanthren-2-one
InChI:
InChI=1S/C15H8O4/c16-15-6-5-9-7-13-14(8-12(9)19-15)18-11-4-2-1-3-10(11)17-13/h1-8H
InChI Key:
HCUOWRCNARRWTQ-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc1c(c2)Oc2c(O1)cccc2
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:
3
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