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89216-90-0 | 9H-Xanthene-3-carboxamide, 9-oxo-7-propoxy-
CAS No: 89216-90-0 Catalog No: AG0044Q4 MDL No:
Product Description
Catalog Number:
AG0044Q4
Chemical Name:
9H-Xanthene-3-carboxamide, 9-oxo-7-propoxy-
CAS Number:
89216-90-0
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
9-oxo-7-propoxyxanthene-3-carboxamide
InChI:
InChI=1S/C17H15NO4/c1-2-7-21-11-4-6-14-13(9-11)16(19)12-5-3-10(17(18)20)8-15(12)22-14/h3-6,8-9H,2,7H2,1H3,(H2,18,20)
InChI Key:
VTKCLPXDEVQVLI-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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