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89216-88-6 | 9H-Xanthene-3-carboxamide, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS No: 89216-88-6 Catalog No: AG0044Q5 MDL No:
Product Description
Catalog Number:
AG0044Q5
Chemical Name:
9H-Xanthene-3-carboxamide, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS Number:
89216-88-6
Molecular Formula:
C19H17NO6
Molecular Weight:
355.3414
IUPAC Name:
3-(6-carbamoyl-9-oxoxanthen-2-yl)oxypropyl acetate
InChI:
InChI=1S/C19H17NO6/c1-11(21)24-7-2-8-25-13-4-6-16-15(10-13)18(22)14-5-3-12(19(20)23)9-17(14)26-16/h3-6,9-10H,2,7-8H2,1H3,(H2,20,23)
InChI Key:
HXMCKQSNKZFVMZ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.346g/mol
Monoisotopic Mass:
355.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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