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85237-85-0

85237-85-0 | Hexanamide,2-acetyl-3,5-dioxo-

CAS No: 85237-85-0 Catalog No: AG004M31 MDL No:

Product Description

Catalog Number:
AG004M31
Chemical Name:
Hexanamide,2-acetyl-3,5-dioxo-
CAS Number:
85237-85-0
Molecular Formula:
C9H13NO5
Molecular Weight:
215.2032
IUPAC Name:
(1-acetamido-2,4-dioxopentyl) acetate
InChI:
InChI=1S/C9H13NO5/c1-5(11)4-8(14)9(10-6(2)12)15-7(3)13/h9H,4H2,1-3H3,(H,10,12)
InChI Key:
CQCUYOGWLHGGOR-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)CC(=O)C)OC(=O)C
EC Number:
286-447-4

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.205g/mol
Monoisotopic Mass:
215.079g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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