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89216-87-5 | 9H-Xanthene-3-carboxamide, 7-butoxy-9-oxo-
CAS No: 89216-87-5 Catalog No: AG004609 MDL No:
Product Description
Catalog Number:
AG004609
Chemical Name:
9H-Xanthene-3-carboxamide, 7-butoxy-9-oxo-
CAS Number:
89216-87-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
7-butoxy-9-oxoxanthene-3-carboxamide
InChI:
InChI=1S/C18H17NO4/c1-2-3-8-22-12-5-7-15-14(10-12)17(20)13-6-4-11(18(19)21)9-16(13)23-15/h4-7,9-10H,2-3,8H2,1H3,(H2,19,21)
InChI Key:
JFMGQRUPXAYRHJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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