Heptanoic-3,4,5,6,7-13C5 acid, 4,6-dioxo-


Chemical Name: Heptanoic-3,4,5,6,7-13C5 acid, 4,6-dioxo-
CAS Number: 881835-86-5
Product Number: AG008BN0(AGN-PC-0VJMFL)
Synonyms:
MDL No:
Molecular Formula: C7H10O4
Molecular Weight: 163.1152

Identification/Properties


Computed Properties
Molecular Weight:
163.115g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
163.075g/mol
Monoisotopic Mass:
163.075g/mol
Topological Polar Surface Area:
71.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
5
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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