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Succinylacetone-13C5

CAS No.:
881835-86-5
Catalog Number:
AG008BN0
Molecular Formula:
C7H10O4
Molecular Weight:
163.1152
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Product Description
Catalog Number:
AG008BN0
Chemical Name:
Succinylacetone-13C5
CAS Number:
881835-86-5
Molecular Formula:
C7H10O4
Molecular Weight:
163.1152
MDL Number:
MFCD00002797
IUPAC Name:
4,6-dioxo(3,4,5,6,7-13C5)heptanoic acid
InChI:
InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)/i1+1,2+1,4+1,5+1,6+1
InChI Key:
WYEPBHZLDUPIOD-JBSMRZEESA-N
SMILES:
OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3]
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
5  
Molecular Weight:
163.115g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties