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89140-98-7 | 11H-Benzo[b]xanthene-6,11,12-trione
CAS No: 89140-98-7 Catalog No: AG003YY2 MDL No:
Product Description
Catalog Number:
AG003YY2
Chemical Name:
11H-Benzo[b]xanthene-6,11,12-trione
CAS Number:
89140-98-7
Molecular Formula:
C17H8O4
Molecular Weight:
276.2430
IUPAC Name:
benzo[b]xanthene-6,11,12-trione
InChI:
InChI=1S/C17H8O4/c18-14-9-5-1-2-6-10(9)16(20)17-13(14)15(19)11-7-3-4-8-12(11)21-17/h1-8H
InChI Key:
KJHOVSCVOBZHSR-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(=O)c1c(o2)cccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.247g/mol
Monoisotopic Mass:
276.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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