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89216-89-7

89216-89-7 | 9H-Xanthene-3-carboxamide, 7-[2-(acetyloxy)propoxy]-9-oxo-

CAS No: 89216-89-7 Catalog No: AG004608 MDL No:

Product Description

Catalog Number:
AG004608
Chemical Name:
9H-Xanthene-3-carboxamide, 7-[2-(acetyloxy)propoxy]-9-oxo-
CAS Number:
89216-89-7
Molecular Formula:
C19H17NO6
Molecular Weight:
355.3414
IUPAC Name:
1-(6-carbamoyl-9-oxoxanthen-2-yl)oxypropan-2-yl acetate
InChI:
InChI=1S/C19H17NO6/c1-10(25-11(2)21)9-24-13-4-6-16-15(8-13)18(22)14-5-3-12(19(20)23)7-17(14)26-16/h3-8,10H,9H2,1-2H3,(H2,20,23)
InChI Key:
DXUSWXUIRNLWFX-UHFFFAOYSA-N
SMILES:
CC(=O)OC(COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N)C

Properties

Complexity:
564  
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:
6  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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